What's Changed
* Reduce requirements by jan-janssen in https://github.com/pyiron/pyiron/pull/17
* Cleanup by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/16
* Minor fixes by jan-janssen in https://github.com/pyiron/pyiron/pull/21
* Get prev structure by jan-janssen in https://github.com/pyiron/pyiron/pull/14
* Interactive non modal by jan-janssen in https://github.com/pyiron/pyiron/pull/22
* fix run_if_interactive() by jan-janssen in https://github.com/pyiron/pyiron/pull/23
* fix calc runtime by jan-janssen in https://github.com/pyiron/pyiron/pull/24
* Restructure by jan-janssen in https://github.com/pyiron/pyiron/pull/26
* Restructure by jan-janssen in https://github.com/pyiron/pyiron/pull/28
* bugfix fetch_completed by samwaseda in https://github.com/pyiron/pyiron/pull/27
* select_atoms implemented by samwaseda in https://github.com/pyiron/pyiron/pull/25
* Appveyor by jan-janssen in https://github.com/pyiron/pyiron/pull/29
* Get nph aniso to read pressure during langevin by liamhuber in https://github.com/pyiron/pyiron/pull/30
* vasp/structure.py: Cleaner write_poscar by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/31
* Fix runtime setter by jan-janssen in https://github.com/pyiron/pyiron/pull/32
* jobtype support custom classes by jan-janssen in https://github.com/pyiron/pyiron/pull/33
* fix modal masters with non modal jobs by jan-janssen in https://github.com/pyiron/pyiron/pull/34
* Raise warning when cores are reset by jan-janssen in https://github.com/pyiron/pyiron/pull/35
* Learn from multiprocessing by jan-janssen in https://github.com/pyiron/pyiron/pull/36
* fix phonopy by jan-janssen in https://github.com/pyiron/pyiron/pull/38
* Manual kpoints by jan-janssen in https://github.com/pyiron/pyiron/pull/40
* murnint - remove create_jobs() by jan-janssen in https://github.com/pyiron/pyiron/pull/39
* implement wrappers by jan-janssen in https://github.com/pyiron/pyiron/pull/43
* warning added by samwaseda in https://github.com/pyiron/pyiron/pull/42
* spins added to the final structure by samwaseda in https://github.com/pyiron/pyiron/pull/46
* All conda forge by jan-janssen in https://github.com/pyiron/pyiron/pull/48
* Structure by samwaseda in https://github.com/pyiron/pyiron/pull/52
* Readme by jan-janssen in https://github.com/pyiron/pyiron/pull/53
* list of strings by jan-janssen in https://github.com/pyiron/pyiron/pull/55
* remove dt use time_step instead by jan-janssen in https://github.com/pyiron/pyiron/pull/54
* Implement list_structures functions by jan-janssen in https://github.com/pyiron/pyiron/pull/57
* Never write in from_hdf() if it is not necessary by jan-janssen in https://github.com/pyiron/pyiron/pull/59
* Debug es by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/61
* Fix hdfio bug by jan-janssen in https://github.com/pyiron/pyiron/pull/62
* debug es by jan-janssen in https://github.com/pyiron/pyiron/pull/64
* Rename interactive_open() to interactive_initialize_interface() by jan-janssen in https://github.com/pyiron/pyiron/pull/63
* ElectronicStructure: Old group name used by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/66
* Add some more docstrings by jan-janssen in https://github.com/pyiron/pyiron/pull/70
* Dev potential by jan-janssen in https://github.com/pyiron/pyiron/pull/67
* only compress files once by jan-janssen in https://github.com/pyiron/pyiron/pull/69
* equivalent voronoi vertices can be now evaluated by samwaseda in https://github.com/pyiron/pyiron/pull/68
* Debug kin energy by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/71
* Fix phonopy to work with the queuing system by jan-janssen in https://github.com/pyiron/pyiron/pull/77
* get_structure implemented on a project level by jan-janssen in https://github.com/pyiron/pyiron/pull/72
* Fix parallel master and queue by jan-janssen in https://github.com/pyiron/pyiron/pull/78
* Busy master bug by jan-janssen in https://github.com/pyiron/pyiron/pull/79
* Fix remove child by jan-janssen in https://github.com/pyiron/pyiron/pull/80
* Implement run_if_child_queue - which executes the jobs when the child… by jan-janssen in https://github.com/pyiron/pyiron/pull/81
* Convergence criterion by samwaseda in https://github.com/pyiron/pyiron/pull/83
* Queue check job is waiting or running by jan-janssen in https://github.com/pyiron/pyiron/pull/82
* Wait for job - Bug Fix by jan-janssen in https://github.com/pyiron/pyiron/pull/86
* Time step by jan-janssen in https://github.com/pyiron/pyiron/pull/85
* Debug serial master by jan-janssen in https://github.com/pyiron/pyiron/pull/87
* Typo fix by liamhuber in https://github.com/pyiron/pyiron/pull/90
* Cleanup vasp by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/89
* Langevin velocity corrected by samwaseda in https://github.com/pyiron/pyiron/pull/88
* Update copyright and add encoding to every file by jan-janssen in https://github.com/pyiron/pyiron/pull/91
* Add compress_jobs() and delete_output_files_jobs() by jan-janssen in https://github.com/pyiron/pyiron/pull/92
* Another copyright update by jan-janssen in https://github.com/pyiron/pyiron/pull/94
* Interactive by jan-janssen in https://github.com/pyiron/pyiron/pull/93
* fix calc_md by jan-janssen in https://github.com/pyiron/pyiron/pull/95
* Structure master by jan-janssen in https://github.com/pyiron/pyiron/pull/96
* Lammps calc_md use default parameters by jan-janssen in https://github.com/pyiron/pyiron/pull/97
* Implement queues_list() and queues_view() by jan-janssen in https://github.com/pyiron/pyiron/pull/98
* fix storage for interactive jobs with multiple sized arrays by jan-janssen in https://github.com/pyiron/pyiron/pull/99
* fix phonopy typo by jan-janssen in https://github.com/pyiron/pyiron/pull/100
* Debug repeat by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/101
* IMplement a 5 sec sleep by jan-janssen in https://github.com/pyiron/pyiron/pull/102
* define properties by jan-janssen in https://github.com/pyiron/pyiron/pull/106
* Mic by samwaseda in https://github.com/pyiron/pyiron/pull/103
* Implement a set_dict function by jan-janssen in https://github.com/pyiron/pyiron/pull/105
* get_final_structure is deprecated by jan-janssen in https://github.com/pyiron/pyiron/pull/107
* Nprint by samwaseda in https://github.com/pyiron/pyiron/pull/108
* Rewrite hdf by samwaseda in https://github.com/pyiron/pyiron/pull/104
* Maintain the interactive group by jan-janssen in https://github.com/pyiron/pyiron/pull/111
* Compress all output files by default by jan-janssen in https://github.com/pyiron/pyiron/pull/114
* Fix executables by jan-janssen in https://github.com/pyiron/pyiron/pull/116
* Use ReferenceJobOutput by default by jan-janssen in https://github.com/pyiron/pyiron/pull/119
* Interactive species fix by jan-janssen in https://github.com/pyiron/pyiron/pull/110
* Set mixing parameters by samwaseda in https://github.com/pyiron/pyiron/pull/115
* Try to fix https://github.com/pyiron/pyiron/issues/117 by jan-janssen in https://github.com/pyiron/pyiron/pull/118
* Debug interactive species by jan-janssen in https://github.com/pyiron/pyiron/pull/120
* get_neighborhood added by samwaseda in https://github.com/pyiron/pyiron/pull/109
* Example interactive job by jan-janssen in https://github.com/pyiron/pyiron/pull/121
* Iter jobs by jan-janssen in https://github.com/pyiron/pyiron/pull/60
* Multi interactive by jan-janssen in https://github.com/pyiron/pyiron/pull/123
* Vasp: Exclude CONTCAR from compression by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/124
* Debug outcar by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/129
* Cleanup by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/127
* output formats for sphinx updated by samwaseda in https://github.com/pyiron/pyiron/pull/125
* include defusedxml in requirements by jan-janssen in https://github.com/pyiron/pyiron/pull/130
* Create job from job by jan-janssen in https://github.com/pyiron/pyiron/pull/131
* Write traj by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/134
* Mapmaster by jan-janssen in https://github.com/pyiron/pyiron/pull/132
* use import lib rather than exec by jan-janssen in https://github.com/pyiron/pyiron/pull/135
* Debug vasp structure by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/133
* fix species by jan-janssen in https://github.com/pyiron/pyiron/pull/136
* Debug write input by jan-janssen in https://github.com/pyiron/pyiron/pull/138
* Langevin fix by liamhuber in https://github.com/pyiron/pyiron/pull/139
* Move ReadMode to sharing - it is currently not used by jan-janssen in https://github.com/pyiron/pyiron/pull/140
* do not derive Runmode from string by jan-janssen in https://github.com/pyiron/pyiron/pull/141
* Implement direct access to the database entry from JobCore by jan-janssen in https://github.com/pyiron/pyiron/pull/142
* Implement codacy coverage by jan-janssen in https://github.com/pyiron/pyiron/pull/144
* Add an easy way to browse jobs job.content.* by jan-janssen in https://github.com/pyiron/pyiron/pull/143
* Check if all elements have the same type by jan-janssen in https://github.com/pyiron/pyiron/pull/145
* Improvements by jan-janssen in https://github.com/pyiron/pyiron/pull/148
* New queue adapter by jan-janssen in https://github.com/pyiron/pyiron/pull/137
* Exclude Versioneer files from coverage by jan-janssen in https://github.com/pyiron/pyiron/pull/150
* Unittests by samwaseda in https://github.com/pyiron/pyiron/pull/146
* Vasp improve by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/147
* Langevin fix by liamhuber in https://github.com/pyiron/pyiron/pull/149
* Increase number of cores for the GenericMaster by jan-janssen in https://github.com/pyiron/pyiron/pull/151
* fix queue_table_global() by jan-janssen in https://github.com/pyiron/pyiron/pull/153
* queue fix by jan-janssen in https://github.com/pyiron/pyiron/pull/154
* fix for vasp interactive by jan-janssen in https://github.com/pyiron/pyiron/pull/155
* Command line install by jan-janssen in https://github.com/pyiron/pyiron/pull/156
* Available Potential implemented by jan-janssen in https://github.com/pyiron/pyiron/pull/152
* Try to use setUpClass(cls) rather than setUp(self) by jan-janssen in https://github.com/pyiron/pyiron/pull/158
* check setup created by jan-janssen in https://github.com/pyiron/pyiron/pull/157
* Outcar by jan-janssen in https://github.com/pyiron/pyiron/pull/159
* get_equivalent_voronoi_vertices can now get length and angle toleranc… by samwaseda in https://github.com/pyiron/pyiron/pull/160
* Make behaviour the same as for other python objects that pop by liamhuber in https://github.com/pyiron/pyiron/pull/161
* Disable docker by jan-janssen in https://github.com/pyiron/pyiron/pull/166
* Plot3d by jan-janssen in https://github.com/pyiron/pyiron/pull/165
* lammps version check by jan-janssen in https://github.com/pyiron/pyiron/pull/168
* Md backwards compatibility by liamhuber in https://github.com/pyiron/pyiron/pull/170
* bugfix by samwaseda in https://github.com/pyiron/pyiron/pull/171
* Fix executable bug and add tests by jan-janssen in https://github.com/pyiron/pyiron/pull/174
* Vasp remove CHRCAR warning by jan-janssen in https://github.com/pyiron/pyiron/pull/172
* Deprecate broken voronoi by liamhuber in https://github.com/pyiron/pyiron/pull/173
* Move murnghan fitting to separate module by jan-janssen in https://github.com/pyiron/pyiron/pull/169
* Remove radius from arguments by jan-janssen in https://github.com/pyiron/pyiron/pull/162
* Fix plot command to work with general equations of state by jan-janssen in https://github.com/pyiron/pyiron/pull/175
* Bring MasterJobs up to date by jan-janssen in https://github.com/pyiron/pyiron/pull/177
* Volumertic data by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/179
* Update input depending on which fit is executed by jan-janssen in https://github.com/pyiron/pyiron/pull/178
* Fix interactive structure bug by jan-janssen in https://github.com/pyiron/pyiron/pull/180
* Trying to simplify the master jobs by jan-janssen in https://github.com/pyiron/pyiron/pull/176
* Pymatgen only supports simple atom attributes so raise a warning by jan-janssen in https://github.com/pyiron/pyiron/pull/181
* Debug vasprun by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/183
* Call non modal jobs directly from the command line by jan-janssen in https://github.com/pyiron/pyiron/pull/182
* Murnaghan fixes by jan-janssen in https://github.com/pyiron/pyiron/pull/184
* list publications: pr.list_publications() by jan-janssen in https://github.com/pyiron/pyiron/pull/164
* Debug atomic order by jan-janssen in https://github.com/pyiron/pyiron/pull/186
* Check file size by jan-janssen in https://github.com/pyiron/pyiron/pull/189
* Check file size by jan-janssen in https://github.com/pyiron/pyiron/pull/188
* queue fix to work without run_job.py by jan-janssen in https://github.com/pyiron/pyiron/pull/190
* Debug OUTCAR and CHGCAR parsing by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/185
* enable docker again by jan-janssen in https://github.com/pyiron/pyiron/pull/191
* Plot3d colours by liamhuber in https://github.com/pyiron/pyiron/pull/193
* update run manual message by jan-janssen in https://github.com/pyiron/pyiron/pull/194
* set childjobs by jan-janssen in https://github.com/pyiron/pyiron/pull/195
* Add job to dict by jan-janssen in https://github.com/pyiron/pyiron/pull/196
* Update pyiron publication by jan-janssen in https://github.com/pyiron/pyiron/pull/197
* Fix ASE spin by jan-janssen in https://github.com/pyiron/pyiron/pull/199
* reset timestep after restart by jan-janssen in https://github.com/pyiron/pyiron/pull/198
* Website check after push by jan-janssen in https://github.com/pyiron/pyiron/pull/200
* Debug Zr by jan-janssen in https://github.com/pyiron/pyiron/pull/201
* Debug repeat by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/203
* Use `numpy.integer` to represent all numpy integer types by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/204
* Website test use python 3 by jan-janssen in https://github.com/pyiron/pyiron/pull/207
* Website test use python 3 by jan-janssen in https://github.com/pyiron/pyiron/pull/206
* get_distances implemented by samwaseda in https://github.com/pyiron/pyiron/pull/205
* pyiron uses the BSD licence not the MIT licence by jan-janssen in https://github.com/pyiron/pyiron/pull/208
* Lammps interactive: Validate potential exists by jan-janssen in https://github.com/pyiron/pyiron/pull/209
* Update copyright to 2019 by jan-janssen in https://github.com/pyiron/pyiron/pull/210
* ref_job gives a warning if the job is not set to interactive by samwaseda in https://github.com/pyiron/pyiron/pull/211
* Only add file logger if the required permissions are available. by jan-janssen in https://github.com/pyiron/pyiron/pull/212
* Fix water example - use time_step rather than dt by jan-janssen in https://github.com/pyiron/pyiron/pull/220
* Ignore lines with warnings during parsing by jan-janssen in https://github.com/pyiron/pyiron/pull/221
* trying to fix bond style by jan-janssen in https://github.com/pyiron/pyiron/pull/217
* Now parses magnetic moments from INCAR file by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/218
* Kpoint by samwaseda in https://github.com/pyiron/pyiron/pull/214
* Group by symmetry by samwaseda in https://github.com/pyiron/pyiron/pull/216
* Validate lammps by samwaseda in https://github.com/pyiron/pyiron/pull/219
* Readthedocs by jan-janssen in https://github.com/pyiron/pyiron/pull/222
* Migration to readthedocs.org by jan-janssen in https://github.com/pyiron/pyiron/pull/223
* Fix run_mode manual by jan-janssen in https://github.com/pyiron/pyiron/pull/225
* Update faq.rst by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/226
* frequency errors changed by samwaseda in https://github.com/pyiron/pyiron/pull/227
* Wrap atoms by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/230
* Update nglview to 2.0 by jan-janssen in https://github.com/pyiron/pyiron/pull/232
* Pressure by samwaseda in https://github.com/pyiron/pyiron/pull/231
* Store the temperatures as `"temperature"` rather than `"temperatures"` by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/237
* implement list_executables() by jan-janssen in https://github.com/pyiron/pyiron/pull/235
* Fixing docstrings by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/239
* Improving unittests by jan-janssen in https://github.com/pyiron/pyiron/pull/240
* Debug vasp import by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/241
* grouping was not done correctly since all IDs were taken by jan-janssen in https://github.com/pyiron/pyiron/pull/242
* Atoms by samwaseda in https://github.com/pyiron/pyiron/pull/243
* Correct spelling mistake by jan-janssen in https://github.com/pyiron/pyiron/pull/244
* pyiron_to_ase fixed to work with spins by jan-janssen in https://github.com/pyiron/pyiron/pull/245
* Fix nglview installation by jan-janssen in https://github.com/pyiron/pyiron/pull/248
* Implement vasp sorter by jan-janssen in https://github.com/pyiron/pyiron/pull/246
* Update by jan-janssen in https://github.com/pyiron/pyiron/pull/249
* Implement get_function_from_string as global function by jan-janssen in https://github.com/pyiron/pyiron/pull/251
* Lammps interactive mpi by jan-janssen in https://github.com/pyiron/pyiron/pull/247
* Announcement by jan-janssen in https://github.com/pyiron/pyiron/pull/250
* Interactive lammps for water potentials by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/257
* values changed for e_tol and f_tol from interactive by uday-gajera in https://github.com/pyiron/pyiron/pull/260
* Switch from calc_minimize to calc_md during an interactive run by jan-janssen in https://github.com/pyiron/pyiron/pull/256
* lammps disable output to command line in interacrtive mode by jan-janssen in https://github.com/pyiron/pyiron/pull/264
* Output displacement by samwaseda in https://github.com/pyiron/pyiron/pull/262
* calc_minimize convergence values changed and function doc stringed. by raynol-dsouza in https://github.com/pyiron/pyiron/pull/261
* AppVeyor master status by jan-janssen in https://github.com/pyiron/pyiron/pull/265
* lammps optimise the performance by jan-janssen in https://github.com/pyiron/pyiron/pull/267
* Add some more DocStrings by jan-janssen in https://github.com/pyiron/pyiron/pull/269
* Set input to read only after the calculation is finished/ collected by jan-janssen in https://github.com/pyiron/pyiron/pull/268
* Update team.rst by jan-janssen in https://github.com/pyiron/pyiron/pull/254
* Use _run_if_refresh rather than run_if_refresh by jan-janssen in https://github.com/pyiron/pyiron/pull/271
* Fix read input by jan-janssen in https://github.com/pyiron/pyiron/pull/274
* New h5io interface by jan-janssen in https://github.com/pyiron/pyiron/pull/273
* Enforce ASE 3.17 by jan-janssen in https://github.com/pyiron/pyiron/pull/282
* Get up to date by jan-janssen in https://github.com/pyiron/pyiron/pull/284
* Get up to date by jan-janssen in https://github.com/pyiron/pyiron/pull/285
* Get up to date by jan-janssen in https://github.com/pyiron/pyiron/pull/286
* Get up to date by jan-janssen in https://github.com/pyiron/pyiron/pull/287
* Get up to date by jan-janssen in https://github.com/pyiron/pyiron/pull/288
* Default versions sorting by Ahmed-Aslam in https://github.com/pyiron/pyiron/pull/272
* Check if ASE object has constraints by jan-janssen in https://github.com/pyiron/pyiron/pull/281
* Debug `__setitem_` by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/283
* CONTCAR manipulation by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/275
* Fix select executable by jan-janssen in https://github.com/pyiron/pyiron/pull/289
* generic parameter bug for the conversion of bool resolved by samwaseda in https://github.com/pyiron/pyiron/pull/280
* Debug read only by jan-janssen in https://github.com/pyiron/pyiron/pull/278
* Revert GenericParameters by jan-janssen in https://github.com/pyiron/pyiron/pull/295
* Lammps structure val only 2 by jan-janssen in https://github.com/pyiron/pyiron/pull/297
* Get up to date by jan-janssen in https://github.com/pyiron/pyiron/pull/299
* fix for run_if_interactive by jan-janssen in https://github.com/pyiron/pyiron/pull/300
* Fix Lammps position update by jan-janssen in https://github.com/pyiron/pyiron/pull/301
* Approvements for AppVeyor by jan-janssen in https://github.com/pyiron/pyiron/pull/303
* Performance improvement for Interactive jobs by jan-janssen in https://github.com/pyiron/pyiron/pull/304
* Get up to date by jan-janssen in https://github.com/pyiron/pyiron/pull/305
* Lammps output by samwaseda in https://github.com/pyiron/pyiron/pull/270
* Implement interactive_execute() by jan-janssen in https://github.com/pyiron/pyiron/pull/302
* Felix murn by jan-janssen in https://github.com/pyiron/pyiron/pull/306
* Add an option to disable the pickling of phonopy by jan-janssen in https://github.com/pyiron/pyiron/pull/233
* lammps input corrected by samwaseda in https://github.com/pyiron/pyiron/pull/292
* Fix busy jobs by jan-janssen in https://github.com/pyiron/pyiron/pull/253
* Try to enable multiprocessing by jan-janssen in https://github.com/pyiron/pyiron/pull/309
* Extend finished jobs by jan-janssen in https://github.com/pyiron/pyiron/pull/311
* Ase f2q by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/310
* Felix hdf by jan-janssen in https://github.com/pyiron/pyiron/pull/307
* Testing executable module by jan-janssen in https://github.com/pyiron/pyiron/pull/313
* Add gpaw support by jan-janssen in https://github.com/pyiron/pyiron/pull/314
* Job type by jan-janssen in https://github.com/pyiron/pyiron/pull/315
* Gpaw fix by jan-janssen in https://github.com/pyiron/pyiron/pull/319
* Reload job from HDF5 file by jan-janssen in https://github.com/pyiron/pyiron/pull/318
* Fix file reload by jan-janssen in https://github.com/pyiron/pyiron/pull/320
* Fix testing executable by jan-janssen in https://github.com/pyiron/pyiron/pull/321
* Galaxy: move file to output by jan-janssen in https://github.com/pyiron/pyiron/pull/323
* Some database fixes by jan-janssen in https://github.com/pyiron/pyiron/pull/324
* Lmp dump parser by samwaseda in https://github.com/pyiron/pyiron/pull/316
* Lammps parser fix by jan-janssen in https://github.com/pyiron/pyiron/pull/327
* Name for project HDF5 by jan-janssen in https://github.com/pyiron/pyiron/pull/328
* Feature volumetric by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/325
* bugfix by samwaseda in https://github.com/pyiron/pyiron/pull/329
* get_structure changed slightly by samwaseda in https://github.com/pyiron/pyiron/pull/317
* Load from jobpath by jan-janssen in https://github.com/pyiron/pyiron/pull/202
* Add get jobs status by FeLoch in https://github.com/pyiron/pyiron/pull/330
* Unittests by samwaseda in https://github.com/pyiron/pyiron/pull/331
* select_index extended by samwaseda in https://github.com/pyiron/pyiron/pull/332
* volume added as an attribute by samwaseda in https://github.com/pyiron/pyiron/pull/335
* Lammps interactive unittests by samwaseda in https://github.com/pyiron/pyiron/pull/334
* Add collect_errors to Vasp parser by jan-janssen in https://github.com/pyiron/pyiron/pull/336
* Get majority species by samwaseda in https://github.com/pyiron/pyiron/pull/333
* Set relative by samwaseda in https://github.com/pyiron/pyiron/pull/337
* Remove requirement that the job has to be finished! by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/338
* Use to_numpy when comparing pandas Series with nonzero by jan-janssen in https://github.com/pyiron/pyiron/pull/341
* Add pyiron table by jan-janssen in https://github.com/pyiron/pyiron/pull/342
* Add azure script by jan-janssen in https://github.com/pyiron/pyiron/pull/339
* Add tqdm to the requirements by jan-janssen in https://github.com/pyiron/pyiron/pull/344
* Update by jan-janssen in https://github.com/pyiron/pyiron/pull/345
* Set scaled positions by samwaseda in https://github.com/pyiron/pyiron/pull/343
* Euler by samwaseda in https://github.com/pyiron/pyiron/pull/346
* Restart jobs by FeLoch in https://github.com/pyiron/pyiron/pull/347
* binder clean up by jan-janssen in https://github.com/pyiron/pyiron/pull/348
* Update first_steps.ipynb by jan-janssen in https://github.com/pyiron/pyiron/pull/349
* wait for job should wait for not_converged jobs by jan-janssen in https://github.com/pyiron/pyiron/pull/351
* fixes for pyiron table - always return lists by jan-janssen in https://github.com/pyiron/pyiron/pull/352
* Check for eddrmm error for local jobs by jan-janssen in https://github.com/pyiron/pyiron/pull/353
* Coverage test concurrency=multiprocessing option by jan-janssen in https://github.com/pyiron/pyiron/pull/357
* Append charge chgcar function by jan-janssen in https://github.com/pyiron/pyiron/pull/350
* Disable python 2 on travis by jan-janssen in https://github.com/pyiron/pyiron/pull/362
* Whitespaces by jan-janssen in https://github.com/pyiron/pyiron/pull/360
* Enable python 2 on travis by jan-janssen in https://github.com/pyiron/pyiron/pull/363
* Add copyright to tests by jan-janssen in https://github.com/pyiron/pyiron/pull/366
* Add Sphinx related tools by jan-janssen in https://github.com/pyiron/pyiron/pull/365
* Remove old Sphinx classes by jan-janssen in https://github.com/pyiron/pyiron/pull/367
* Improve spin cons by FeLoch in https://github.com/pyiron/pyiron/pull/364
* Black: The Uncompromising Code Formatter by jan-janssen in https://github.com/pyiron/pyiron/pull/368
* bugfix for new path name in rewrite_hdf5 by FeLoch in https://github.com/pyiron/pyiron/pull/371
* Write traj by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/372
* Eddrmm handling by FeLoch in https://github.com/pyiron/pyiron/pull/369
* Add uncertainty functions to pyiron table by jan-janssen in https://github.com/pyiron/pyiron/pull/374
* Job_table: add job_name_contains option by jan-janssen in https://github.com/pyiron/pyiron/pull/375
* include LICENSE in pypi package by jan-janssen in https://github.com/pyiron/pyiron/pull/376
* Update to master by jan-janssen in https://github.com/pyiron/pyiron/pull/378
* Add properties from mendeleev by jan-janssen in https://github.com/pyiron/pyiron/pull/290
* Fix memory limit by jan-janssen in https://github.com/pyiron/pyiron/pull/380
* Write traj by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/382
* Improved EDDRMM warning handling by FeLoch in https://github.com/pyiron/pyiron/pull/377
* pyiron table allow adding not converged jobs by jan-janssen in https://github.com/pyiron/pyiron/pull/383
* Added Gaussian plugin by jan-janssen in https://github.com/pyiron/pyiron/pull/385
* Ase compatibility fix by jan-janssen in https://github.com/pyiron/pyiron/pull/386
* Defining a dummy cell when visualizing clusters in nglview by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/393
* Allow for singular matrices to be set as cell value by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/395
* Support arrays and lists in pr.remove_job() by jan-janssen in https://github.com/pyiron/pyiron/pull/397
* Settings update by jan-janssen in https://github.com/pyiron/pyiron/pull/394
* Implement multiprocessing by jan-janssen in https://github.com/pyiron/pyiron/pull/398
* Stress by samwaseda in https://github.com/pyiron/pyiron/pull/399
* Fix enable_h5md function by jan-janssen in https://github.com/pyiron/pyiron/pull/402
* some unittests for sphinx added by samwaseda in https://github.com/pyiron/pyiron/pull/401
* Murnaghan polyfit by jan-janssen in https://github.com/pyiron/pyiron/pull/392
* Fix versions of dependencies so we are sure pyiron is compatbile by jan-janssen in https://github.com/pyiron/pyiron/pull/400
* pyiron without a database by jan-janssen in https://github.com/pyiron/pyiron/pull/396
* small change in get_distances by samwaseda in https://github.com/pyiron/pyiron/pull/403
* Bug Fix for filetable by jan-janssen in https://github.com/pyiron/pyiron/pull/405
* tests added by samwaseda in https://github.com/pyiron/pyiron/pull/404
* Unittests by samwaseda in https://github.com/pyiron/pyiron/pull/406
* restart modified for unfinished jobs to be able to rerun by samwaseda in https://github.com/pyiron/pyiron/pull/355
* Sort child names based on the names generated by the job generator by jan-janssen in https://github.com/pyiron/pyiron/pull/234
* lammps compatible to old versions by jan-janssen in https://github.com/pyiron/pyiron/pull/407
* Spx custom input by samwaseda in https://github.com/pyiron/pyiron/pull/408
* small change to make sure that number of max steps in calc_minimize i… by samwaseda in https://github.com/pyiron/pyiron/pull/409
* Sxextopt considers magnetism by samwaseda in https://github.com/pyiron/pyiron/pull/411
* potential class corrected to include custom potential by samwaseda in https://github.com/pyiron/pyiron/pull/412
* Fix output.indices for not interactive jobs by jan-janssen in https://github.com/pyiron/pyiron/pull/413
* Centering coordinates only along periodic directions by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/414
* Sxextopt str by samwaseda in https://github.com/pyiron/pyiron/pull/417
* GenericParameters - use literal_eval rather than eval by jan-janssen in https://github.com/pyiron/pyiron/pull/419
* Implement pyiron.install() by jan-janssen in https://github.com/pyiron/pyiron/pull/420
* Update requirements by jan-janssen in https://github.com/pyiron/pyiron/pull/421
* Remove conda channel by jan-janssen in https://github.com/pyiron/pyiron/pull/422
* Fix random seed for initial velocities by jan-janssen in https://github.com/pyiron/pyiron/pull/423
* Split environment paths by jan-janssen in https://github.com/pyiron/pyiron/pull/424
* Disable resolving symbolic links by jan-janssen in https://github.com/pyiron/pyiron/pull/416
* Minor corrections by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/425
* Switch from logger.warn() to logger.warning() by jan-janssen in https://github.com/pyiron/pyiron/pull/428
* HDF5 mode by jan-janssen in https://github.com/pyiron/pyiron/pull/429
* fix meam potentials by jan-janssen in https://github.com/pyiron/pyiron/pull/431
* Lammps pressure fix - 0 is an int. by jan-janssen in https://github.com/pyiron/pyiron/pull/430
* Set reservations for all child jobs in a master job by jan-janssen in https://github.com/pyiron/pyiron/pull/427
* Langevin fix by jan-janssen in https://github.com/pyiron/pyiron/pull/435
* Ci fix by jan-janssen in https://github.com/pyiron/pyiron/pull/436
* Implement per atom functions in pyiron table by jan-janssen in https://github.com/pyiron/pyiron/pull/432
* small debug as magnetic forces were not stored by jan-janssen in https://github.com/pyiron/pyiron/pull/439
* pyscal to analyse steinhardt parameter by jan-janssen in https://github.com/pyiron/pyiron/pull/441
* Update news by jan-janssen in https://github.com/pyiron/pyiron/pull/444
* Implement get_n_equ_kpts by jan-janssen in https://github.com/pyiron/pyiron/pull/442
* Lammps bonds by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/440
* Fix lammps water by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/437
* full_table now allows users to see the entire pandas queue table by samwaseda in https://github.com/pyiron/pyiron/pull/447
* fix HDF5 deletion bug by jan-janssen in https://github.com/pyiron/pyiron/pull/448
* Vcsgc adaptations by liamhuber in https://github.com/pyiron/pyiron/pull/450
* Add an easy function for checking the git hash of each pyiron module by liamhuber in https://github.com/pyiron/pyiron/pull/451
* Do not compress Stopcar by jan-janssen in https://github.com/pyiron/pyiron/pull/452
* Do not recreate restart job if it exists by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/455
* Add try except around git import by jan-janssen in https://github.com/pyiron/pyiron/pull/456
* Static methods need no self argument by liamhuber in https://github.com/pyiron/pyiron/pull/459
* Set isym for VASP MD by jan-janssen in https://github.com/pyiron/pyiron/pull/461
* fix planewave parsing by jan-janssen in https://github.com/pyiron/pyiron/pull/460
* bugfix in set_value: (Felix's commit) by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/446
* Remove EnCUT by jan-janssen in https://github.com/pyiron/pyiron/pull/462
* Lammps triclinic repairs and extension by liamhuber in https://github.com/pyiron/pyiron/pull/463
* Very basic docstring for CNA by liamhuber in https://github.com/pyiron/pyiron/pull/467
* Add a warning when Lammps units aren't 'metal' by liamhuber in https://github.com/pyiron/pyiron/pull/468
* Fix vasprun by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/464
* pyiron table: get plane waves - total number of planewaves by jan-janssen in https://github.com/pyiron/pyiron/pull/466
* Kpoints line mode for VASP by FeLoch in https://github.com/pyiron/pyiron/pull/445
* Enmax finder by liamhuber in https://github.com/pyiron/pyiron/pull/469
* fix openkim interface by jan-janssen in https://github.com/pyiron/pyiron/pull/471
* sphinx restart by samwaseda in https://github.com/pyiron/pyiron/pull/470
* Spx restart by samwaseda in https://github.com/pyiron/pyiron/pull/474
* Felix's changes reflected by samwaseda in https://github.com/pyiron/pyiron/pull/475
* sxphonon fixes by jan-janssen in https://github.com/pyiron/pyiron/pull/472
* Spx electronic convergence by samwaseda in https://github.com/pyiron/pyiron/pull/478
* Sphinx interactive energy type by liamhuber in https://github.com/pyiron/pyiron/pull/482
* avoid named pipes (because otherwise decompression fails) by samwaseda in https://github.com/pyiron/pyiron/pull/476
* always remove nve by jan-janssen in https://github.com/pyiron/pyiron/pull/481
* Lammps velocities by jan-janssen in https://github.com/pyiron/pyiron/pull/479
* enable in Project().remove() has to be set explicitly to True by samwaseda in https://github.com/pyiron/pyiron/pull/483
* Reflecting Jan's comment on the unittest for SPHInX by samwaseda in https://github.com/pyiron/pyiron/pull/486
* Interactive speedup by samwaseda in https://github.com/pyiron/pyiron/pull/488
* Make wrap compatible with ase version 3.19.0 by liamhuber in https://github.com/pyiron/pyiron/pull/492
* Lmp thermo average by samwaseda in https://github.com/pyiron/pyiron/pull/493
* number of steps in calc_minimize changed by samwaseda in https://github.com/pyiron/pyiron/pull/484
* pyiron table: get electronic convergence by jan-janssen in https://github.com/pyiron/pyiron/pull/494
* Interactive input speedup by samwaseda in https://github.com/pyiron/pyiron/pull/489
* Job copy logic by liamhuber in https://github.com/pyiron/pyiron/pull/497
* Drop Python 2.7 tests in favour of Python 3.8 by jan-janssen in https://github.com/pyiron/pyiron/pull/501
* fix for atoms_from_string() by jan-janssen in https://github.com/pyiron/pyiron/pull/480
* Hdf by samwaseda in https://github.com/pyiron/pyiron/pull/499
* Drop py27 by jan-janssen in https://github.com/pyiron/pyiron/pull/502
* Lmp average by samwaseda in https://github.com/pyiron/pyiron/pull/498
* Find neighbors by vector by jan-janssen in https://github.com/pyiron/pyiron/pull/438
* Lmp average position by samwaseda in https://github.com/pyiron/pyiron/pull/508
* Lammps bonds by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/457
* Lmp temperature by samwaseda in https://github.com/pyiron/pyiron/pull/509
* Water analysis by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/511
* Announcement of the first pyiron Workshop - http://potentials.rub.de by jan-janssen in https://github.com/pyiron/pyiron/pull/505
* Use latest images on Azure by jan-janssen in https://github.com/pyiron/pyiron/pull/514
* remove md_analysis by samwaseda in https://github.com/pyiron/pyiron/pull/512
* Pot per atom sam by Alaukiksaxena in https://github.com/pyiron/pyiron/pull/513
* Debug vasp import by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/517
* VASP Gamma mode implementation by FeLoch in https://github.com/pyiron/pyiron/pull/519
* bugfix set_empty_states by FeLoch in https://github.com/pyiron/pyiron/pull/521
* Copyright changed to 2020 by samwaseda in https://github.com/pyiron/pyiron/pull/523
* Use direct Lammps API in ASE wrapper by jan-janssen in https://github.com/pyiron/pyiron/pull/524
* Kpoints line mode sphinx by FeLoch in https://github.com/pyiron/pyiron/pull/527
* Fix docker build by jan-janssen in https://github.com/pyiron/pyiron/pull/528
* Update to Miniconda 4.7.12 by jan-janssen in https://github.com/pyiron/pyiron/pull/529
* Docker by jan-janssen in https://github.com/pyiron/pyiron/pull/530
* No loading jobs silently instead of running by liamhuber in https://github.com/pyiron/pyiron/pull/531
* updated restart functions for BS calculations by FeLoch in https://github.com/pyiron/pyiron/pull/532
* Fix for SerialMaster by jan-janssen in https://github.com/pyiron/pyiron/pull/533
* Apply strain by samwaseda in https://github.com/pyiron/pyiron/pull/526
* Spherical coordiantes by samwaseda in https://github.com/pyiron/pyiron/pull/534
* Add a simple gitpod config by jan-janssen in https://github.com/pyiron/pyiron/pull/536
* warning for set_relative by samwaseda in https://github.com/pyiron/pyiron/pull/535
* decompress removed when restart is done by samwaseda in https://github.com/pyiron/pyiron/pull/538
* shell_matrix updated by samwaseda in https://github.com/pyiron/pyiron/pull/539
* Fix _setitem__ by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/544
* Fix GenericDFT by jan-janssen in https://github.com/pyiron/pyiron/pull/547
* Gaussian module changes from ugent, with generic calc functions by SanderBorgmans in https://github.com/pyiron/pyiron/pull/545
* Warning status by liamhuber in https://github.com/pyiron/pyiron/pull/543
* Fix Gaussian by jan-janssen in https://github.com/pyiron/pyiron/pull/551
* pipes erased after calculation in sxextopt (in order to not prevent c… by samwaseda in https://github.com/pyiron/pyiron/pull/555
* Implement fake calculator interface by jan-janssen in https://github.com/pyiron/pyiron/pull/556
* location had to be indicated by samwaseda in https://github.com/pyiron/pyiron/pull/557
* Unit Tests for Gaussian by jan-janssen in https://github.com/pyiron/pyiron/pull/554
* NMA module added to latest master from hpc_ugent by SanderBorgmans in https://github.com/pyiron/pyiron/pull/548
* Added Yaff module to latest master from hpc_ugent by SanderBorgmans in https://github.com/pyiron/pyiron/pull/549
* Revert "Remove nma module from the merge" by jan-janssen in https://github.com/pyiron/pyiron/pull/561
* Include quickff in setup.py by jan-janssen in https://github.com/pyiron/pyiron/pull/562
* Sxextopt by samwaseda in https://github.com/pyiron/pyiron/pull/558
* snapshot erased (because it does not make much sense for restarts) by samwaseda in https://github.com/pyiron/pyiron/pull/566
* ase fix by jan-janssen in https://github.com/pyiron/pyiron/pull/568
* Update spelling mistake by jan-janssen in https://github.com/pyiron/pyiron/pull/569
* Generic parameters no multi word by jan-janssen in https://github.com/pyiron/pyiron/pull/564
* tolerance added to get_shell_matrix by samwaseda in https://github.com/pyiron/pyiron/pull/571
* Added QuickFF module to latest master from hpc_ugent by SanderBorgmans in https://github.com/pyiron/pyiron/pull/550
* Rewrite line mode for band structure calculations by FeLoch in https://github.com/pyiron/pyiron/pull/572
* Spx potential by jan-janssen in https://github.com/pyiron/pyiron/pull/415
* Spx potential - some more fixes by jan-janssen in https://github.com/pyiron/pyiron/pull/574
* parse the number of valence electrons by samwaseda in https://github.com/pyiron/pyiron/pull/575
* Analyse band occ by samwaseda in https://github.com/pyiron/pyiron/pull/577
* restart function for band structures by FeLoch in https://github.com/pyiron/pyiron/pull/573
* Rewrite restart_from_... functions by FeLoch in https://github.com/pyiron/pyiron/pull/579
* Add molmod and other UGent requirements to mybinder by jan-janssen in https://github.com/pyiron/pyiron/pull/563
* Check if iron potential is available by jan-janssen in https://github.com/pyiron/pyiron/pull/581
* very small bugfix by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/584
* Update to Visual Studio 2019 by jan-janssen in https://github.com/pyiron/pyiron/pull/588
* Reload atoms from HDF5 file by jan-janssen in https://github.com/pyiron/pyiron/pull/589
* Fix auto complete by jan-janssen in https://github.com/pyiron/pyiron/pull/590
* Move to pylammpsmpi by jan-janssen in https://github.com/pyiron/pyiron/pull/591
* Spx interactive parser by samwaseda in https://github.com/pyiron/pyiron/pull/578
* Fix compatibility to pylammpsmpi by jan-janssen in https://github.com/pyiron/pyiron/pull/597
* Surface pbc by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/603
* Implement _get_job_ids_from_project() by jan-janssen in https://github.com/pyiron/pyiron/pull/601
* Add ASE write function by jan-janssen in https://github.com/pyiron/pyiron/pull/607
* Non periodic by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/602
* Vasp bugfix by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/614
* Update continuous integration environment by jan-janssen in https://github.com/pyiron/pyiron/pull/615
* Pyiron tables by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/608
* Add interface method by jan-janssen in https://github.com/pyiron/pyiron/pull/616
* Add notebook to test pyiron installation by jan-janssen in https://github.com/pyiron/pyiron/pull/618
* fix exception on accessing missing attribute on JobStatus by pmrv in https://github.com/pyiron/pyiron/pull/619
* New SPHInX input parsing scheme by ashtonmv in https://github.com/pyiron/pyiron/pull/592
* Interactive by samwaseda in https://github.com/pyiron/pyiron/pull/621
* Updating example notebooks by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/617
* Fix sphinx by samwaseda in https://github.com/pyiron/pyiron/pull/622
* order of parsing changed by samwaseda in https://github.com/pyiron/pyiron/pull/623
* Update notebooks by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/626
* Update data_mining.ipynb by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/627
* scaled_positions updated by samwaseda in https://github.com/pyiron/pyiron/pull/599
* Remove melting.json hard link by jan-janssen in https://github.com/pyiron/pyiron/pull/628
* Fix for the interface method by jan-janssen in https://github.com/pyiron/pyiron/pull/629
* calc_minimize changed to ricQN by samwaseda in https://github.com/pyiron/pyiron/pull/630
* load_species_group based on job.input['VaspPot'] by ashtonmv in https://github.com/pyiron/pyiron/pull/631
* Mybinder - use current branch rather then conda version by jan-janssen in https://github.com/pyiron/pyiron/pull/633
* Merge with master by jan-janssen in https://github.com/pyiron/pyiron/pull/636
* Clean up mybinder postbuild by jan-janssen in https://github.com/pyiron/pyiron/pull/637
* Update Marvins branch by jan-janssen in https://github.com/pyiron/pyiron/pull/638
* Add stale bot by jan-janssen in https://github.com/pyiron/pyiron/pull/640
* applied numpy array for all coordinates in k points by samwaseda in https://github.com/pyiron/pyiron/pull/634
* Update pyscal interface by jan-janssen in https://github.com/pyiron/pyiron/pull/507
* Fix sphinx version for mybinder by jan-janssen in https://github.com/pyiron/pyiron/pull/642
* new create_hkl_surface function by ashtonmv in https://github.com/pyiron/pyiron/pull/645
* Rotate pressures by liamhuber in https://github.com/pyiron/pyiron/pull/496
* Making sure vasp runs only 1 ionic step for a static calculation by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/650
* phonopy updated to circumvent all deprecation warnings by samwaseda in https://github.com/pyiron/pyiron/pull/647
* Plane wave cutoff by samwaseda in https://github.com/pyiron/pyiron/pull/654
* Bug in VASP parsing from OUTCAR by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/649
* Update by jan-janssen in https://github.com/pyiron/pyiron/pull/657
* Fix displacements by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/587
* calc_md with pressure 0 corrected by samwaseda in https://github.com/pyiron/pyiron/pull/656
* Continous integration by jan-janssen in https://github.com/pyiron/pyiron/pull/652
* Use alphabetical sorting for job types by jan-janssen in https://github.com/pyiron/pyiron/pull/659
* Planar avg by suhyunyoo in https://github.com/pyiron/pyiron/pull/458
* Add HessianJob for thermodynamic integration by jan-janssen in https://github.com/pyiron/pyiron/pull/658
* pylammpsmpi clean up by jan-janssen in https://github.com/pyiron/pyiron/pull/667
* add methods to get charges/ids for pair_style full by pmrv in https://github.com/pyiron/pyiron/pull/567
* small bugfix when set_repeat is applied after get_initial_magnetic_mo… by samwaseda in https://github.com/pyiron/pyiron/pull/525
* VASP: "ZBRENT: fatal error" capturing by jan-janssen in https://github.com/pyiron/pyiron/pull/356
* Visualization of magnetic moments in plot3d() by FeLoch in https://github.com/pyiron/pyiron/pull/671
* Fix error message when calc_* is set before structure by jan-janssen in https://github.com/pyiron/pyiron/pull/666
* Simplify Python only jobs by jan-janssen in https://github.com/pyiron/pyiron/pull/675
* Update create_object() to support custom classes by jan-janssen in https://github.com/pyiron/pyiron/pull/676
* Use new module interface by jan-janssen in https://github.com/pyiron/pyiron/pull/678
* Create job template by jan-janssen in https://github.com/pyiron/pyiron/pull/679
* fix pyiron table by jan-janssen in https://github.com/pyiron/pyiron/pull/682
* Update spin tag in structure by FeLoch in https://github.com/pyiron/pyiron/pull/670
* Remove warning for default jobs by jan-janssen in https://github.com/pyiron/pyiron/pull/684
* Remove warnings filter by jan-janssen in https://github.com/pyiron/pyiron/pull/683
* Add Vaspsol support by jan-janssen in https://github.com/pyiron/pyiron/pull/681
* Vasp constrained dynamics by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/552
* Fix sphinx resources by jan-janssen in https://github.com/pyiron/pyiron/pull/686
* Get version number from versioneer by jan-janssen in https://github.com/pyiron/pyiron/pull/687
* Doc Version: Use subprocess instead by jan-janssen in https://github.com/pyiron/pyiron/pull/688
* Sphinx volumetric data by ashtonmv in https://github.com/pyiron/pyiron/pull/690
* Mybinder: update postBuild by jan-janssen in https://github.com/pyiron/pyiron/pull/689
* Update requirements for readthedocs by jan-janssen in https://github.com/pyiron/pyiron/pull/692
* Add readthedocslink to README by jan-janssen in https://github.com/pyiron/pyiron/pull/695
* Minor news update by jan-janssen in https://github.com/pyiron/pyiron/pull/696
* Copy to fix by jan-janssen in https://github.com/pyiron/pyiron/pull/697
* small change for safer behaviour by samwaseda in https://github.com/pyiron/pyiron/pull/698
* Use stale label by jan-janssen in https://github.com/pyiron/pyiron/pull/700
* Add software partners by jan-janssen in https://github.com/pyiron/pyiron/pull/694
* New contributing guidelines by ashtonmv in https://github.com/pyiron/pyiron/pull/646
* Use the latest sphinx version for tests by jan-janssen in https://github.com/pyiron/pyiron/pull/705
* Add Sam's Sphinx test notebook to integration tests by jan-janssen in https://github.com/pyiron/pyiron/pull/710
* Doctests by jan-janssen in https://github.com/pyiron/pyiron/pull/712
* forces missing in the list of interactive output tags by samwaseda in https://github.com/pyiron/pyiron/pull/709
* :pencil: Add Debugging by raynol-dsouza in https://github.com/pyiron/pyiron/pull/716
* Scriptjobs support input.json files by jan-janssen in https://github.com/pyiron/pyiron/pull/717
* job status bugfix by FeLoch in https://github.com/pyiron/pyiron/pull/715
* New Error class by samwaseda in https://github.com/pyiron/pyiron/pull/721
* VASP: Remove redundant set_kopints() function by jan-janssen in https://github.com/pyiron/pyiron/pull/726
* External input by jan-janssen in https://github.com/pyiron/pyiron/pull/727
* Add logger to interactive interface by jan-janssen in https://github.com/pyiron/pyiron/pull/730
* Fix deletion of named pipes by jan-janssen in https://github.com/pyiron/pyiron/pull/733
* Fix typo by jan-janssen in https://github.com/pyiron/pyiron/pull/735
* Job pipeline by jan-janssen in https://github.com/pyiron/pyiron/pull/731
* Implement create_pipeline() for GenericJob by jan-janssen in https://github.com/pyiron/pyiron/pull/737
* find_potential_file by jan-janssen in https://github.com/pyiron/pyiron/pull/728
* VASP: updating write magmoms by FeLoch in https://github.com/pyiron/pyiron/pull/725
* VASP: update restart for magnetic calculations by FeLoch in https://github.com/pyiron/pyiron/pull/723
* Update Dokumentation for docker setup by jan-janssen in https://github.com/pyiron/pyiron/pull/739
* small bugfix by samwaseda in https://github.com/pyiron/pyiron/pull/740
* Try to fix SQLerror by jan-janssen in https://github.com/pyiron/pyiron/pull/734
* Update spin constraints by FeLoch in https://github.com/pyiron/pyiron/pull/743
* Update faq how to use a custom potential in LAMMPS by raynol-dsouza in https://github.com/pyiron/pyiron/pull/745
* Remove warning filters by jan-janssen in https://github.com/pyiron/pyiron/pull/751
* don't reset pandas options by pmrv in https://github.com/pyiron/pyiron/pull/752
* Update how to use a custom potential in LAMMPS (745) by jan-janssen in https://github.com/pyiron/pyiron/pull/754
* Update runtime when calculations crashes by jan-janssen in https://github.com/pyiron/pyiron/pull/755
* Sphinx tests by samwaseda in https://github.com/pyiron/pyiron/pull/750
* Fix updated Sphinx Notebook by jan-janssen in https://github.com/pyiron/pyiron/pull/756
* Github Code check by jan-janssen in https://github.com/pyiron/pyiron/pull/757
* add utility scripts by pmrv in https://github.com/pyiron/pyiron/pull/753
* maximum forces for the output added by samwaseda in https://github.com/pyiron/pyiron/pull/758
* Fix vasp import by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/761
* Ssa by samwaseda in https://github.com/pyiron/pyiron/pull/763
* repeat_points added by samwaseda in https://github.com/pyiron/pyiron/pull/764
* Inputlist - 2nd try by jan-janssen in https://github.com/pyiron/pyiron/pull/749
* _spin_enabled changed to property by samwaseda in https://github.com/pyiron/pyiron/pull/770
* Get equivalent points by samwaseda in https://github.com/pyiron/pyiron/pull/768
* deleted get_equivalent_atoms by samwaseda in https://github.com/pyiron/pyiron/pull/766
* Update save() function by jan-janssen in https://github.com/pyiron/pyiron/pull/771
* Create deprecation warning by samwaseda in https://github.com/pyiron/pyiron/pull/772
* Once again by jan-janssen in https://github.com/pyiron/pyiron/pull/774
* warning filters removed by samwaseda in https://github.com/pyiron/pyiron/pull/778
* :bug: Fix valence parser for elements starting with 'Z' by ashtonmv in https://github.com/pyiron/pyiron/pull/776
* sphinx version removed by samwaseda in https://github.com/pyiron/pyiron/pull/783
* import spglib directly by jan-janssen in https://github.com/pyiron/pyiron/pull/784
* Simplify accessing the project directory for script jobs by jan-janssen in https://github.com/pyiron/pyiron/pull/786
* deprecation warning updated by samwaseda in https://github.com/pyiron/pyiron/pull/790
* Validate lammps run by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/796
* Update with Master by jan-janssen in https://github.com/pyiron/pyiron/pull/798
* error when repeat gets a float by samwaseda in https://github.com/pyiron/pyiron/pull/799
* time replaced by steps by samwaseda in https://github.com/pyiron/pyiron/pull/785
* number of electronic steps changed by samwaseda in https://github.com/pyiron/pyiron/pull/801
* Add full_table parameter by jan-janssen in https://github.com/pyiron/pyiron/pull/804
* update transfer_from_remote() by jan-janssen in https://github.com/pyiron/pyiron/pull/805
* View structure along an axis using plot3d() by raynol-dsouza in https://github.com/pyiron/pyiron/pull/788
* Yaff cleanup: Mainly PEP8 by jan-janssen in https://github.com/pyiron/pyiron/pull/806
* Integration of pyscal with pyiron by srmnitc in https://github.com/pyiron/pyiron/pull/787
* Implement delete_existing_job in create_job by samwaseda in https://github.com/pyiron/pyiron/pull/803
* Consistency of codes + website by samwaseda in https://github.com/pyiron/pyiron/pull/779
* output/sphinx removed by samwaseda in https://github.com/pyiron/pyiron/pull/809
* Fix Lammps interactive_close() by jan-janssen in https://github.com/pyiron/pyiron/pull/811
* safer behaviour for remove_jobs by samwaseda in https://github.com/pyiron/pyiron/pull/817
* Update Website build process by jan-janssen in https://github.com/pyiron/pyiron/pull/821
* A new `Atoms` class derived from `ase` by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/680
* Remove DFT functions from AtomisticJob by jan-janssen in https://github.com/pyiron/pyiron/pull/823
* Remove atom color by jan-janssen in https://github.com/pyiron/pyiron/pull/827
* Numpy arrays were incompatible with JSON by SanderBorgmans in https://github.com/pyiron/pyiron/pull/836
* Add SQSgenerator class by jan-janssen in https://github.com/pyiron/pyiron/pull/813
* Support more properties directly from mendeleev by jan-janssen in https://github.com/pyiron/pyiron/pull/840
* Update flush frequency by jan-janssen in https://github.com/pyiron/pyiron/pull/837
* Adding a code of conduct by jan-janssen in https://github.com/pyiron/pyiron/pull/824
* Add gamma surface example by jan-janssen in https://github.com/pyiron/pyiron/pull/841
* Execute interactive master jobs in the background by jan-janssen in https://github.com/pyiron/pyiron/pull/842
* Pipeline by jan-janssen in https://github.com/pyiron/pyiron/pull/844
* fix interactive master in non modal mode by jan-janssen in https://github.com/pyiron/pyiron/pull/847
* cli wrapper PEP8 clean up by jan-janssen in https://github.com/pyiron/pyiron/pull/852
* Database functions get_job_status and set_job_status by jan-janssen in https://github.com/pyiron/pyiron/pull/849
* Delete database entry if HDF5 does not exist by jan-janssen in https://github.com/pyiron/pyiron/pull/851
* Enable local database for pyiron installations without a database by jan-janssen in https://github.com/pyiron/pyiron/pull/850
* create_job deletes jobs by jan-janssen in https://github.com/pyiron/pyiron/pull/855
* Fixes for server logger by jan-janssen in https://github.com/pyiron/pyiron/pull/853
* filetable - enforce job_id to be int by jan-janssen in https://github.com/pyiron/pyiron/pull/854
* pyiron without database by jan-janssen in https://github.com/pyiron/pyiron/pull/848
* check if potential supports correct elements by pmrv in https://github.com/pyiron/pyiron/pull/833
* reset pandas display options w/o full_table by pmrv in https://github.com/pyiron/pyiron/pull/859
* pyiron atoms changed to pbc when not specified by samwaseda in https://github.com/pyiron/pyiron/pull/858
* Fix GenericMaster append by jan-janssen in https://github.com/pyiron/pyiron/pull/868
* Fix queue_check_job_is_waiting_or_running() by jan-janssen in https://github.com/pyiron/pyiron/pull/867
* fix wait for job by jan-janssen in https://github.com/pyiron/pyiron/pull/865
* FlexibleMaster: submit child jobs to queue by jan-janssen in https://github.com/pyiron/pyiron/pull/863
* Support for nested GenericMasters by jan-janssen in https://github.com/pyiron/pyiron/pull/869
* Fix refine_cell() and get_primitive_cell() by jan-janssen in https://github.com/pyiron/pyiron/pull/862
* VASP always return periodic cells by jan-janssen in https://github.com/pyiron/pyiron/pull/861
* local datbase fixes by jan-janssen in https://github.com/pyiron/pyiron/pull/871
* Install coverage util via conda by jan-janssen in https://github.com/pyiron/pyiron/pull/872
* fix example formatting in InputList by pmrv in https://github.com/pyiron/pyiron/pull/875
* save Atoms.info in HDF by pmrv in https://github.com/pyiron/pyiron/pull/880
* fix atom info by jan-janssen in https://github.com/pyiron/pyiron/pull/886
* Fix git import by jan-janssen in https://github.com/pyiron/pyiron/pull/879
* Queuetable pandas fix by jan-janssen in https://github.com/pyiron/pyiron/pull/878
* Implement wait_for_job - on the project level by jan-janssen in https://github.com/pyiron/pyiron/pull/881
* added delete_existing_jobs option to pipeline by SanderBorgmans in https://github.com/pyiron/pyiron/pull/882
* move publication function to separate module by jan-janssen in https://github.com/pyiron/pyiron/pull/884
* Move database functions to job_table module by jan-janssen in https://github.com/pyiron/pyiron/pull/885
* Vasp bool by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/889
* :fire: Remove hack for VASP by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/890
* Structurelist by pmrv in https://github.com/pyiron/pyiron/pull/873
* small bugfix by samwaseda in https://github.com/pyiron/pyiron/pull/892
* Fix Bug in FlexibleMaster by jan-janssen in https://github.com/pyiron/pyiron/pull/893
* require user input in `remove_jobs` + create `remove_jobs_silently` by ashtonmv in https://github.com/pyiron/pyiron/pull/883
* Update CONTRIBUTING.rst by pmrv in https://github.com/pyiron/pyiron/pull/897
* Update control.py by prince-mathews in https://github.com/pyiron/pyiron/pull/895
* convert server.run_time to int by pmrv in https://github.com/pyiron/pyiron/pull/901
* fix docstrings by pmrv in https://github.com/pyiron/pyiron/pull/896
* check for None after submit_job by pmrv in https://github.com/pyiron/pyiron/pull/902
* Learning commit by Ahmed-Aslam in https://github.com/pyiron/pyiron/pull/903
* Increase precision in POSCAR by jan-janssen in https://github.com/pyiron/pyiron/pull/904
* Fix wait_for_job by jan-janssen in https://github.com/pyiron/pyiron/pull/905
* Accelerate pyiron table by jan-janssen in https://github.com/pyiron/pyiron/pull/898
* Simplify setting potentials for VASP by jan-janssen in https://github.com/pyiron/pyiron/pull/908
* Fix selective dynamics by jan-janssen in https://github.com/pyiron/pyiron/pull/911
* Support multiple cluster by jan-janssen in https://github.com/pyiron/pyiron/pull/912
* Fix copy_to() by jan-janssen in https://github.com/pyiron/pyiron/pull/919
* Fixing spin_constraint by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/923
* :bug: in `calc_minimize` by sudarsan-surendralal in https://github.com/pyiron/pyiron/pull/926
* Support CONDA_DIR in addition to CONDA_PREFIX by jan-janssen in https://github.com/pyiron/pyiron/pull/928
* Vasp potential peeking by liamhuber in https://github.com/pyiron/pyiron/pull/933
* Use rotation matrix in vcsgc too by liamhuber in https://github.com/pyiron/pyiron/pull/934
* Pipeline restart fix + non-generic master job name by SanderBorgmans in https://github.com/pyiron/pyiron/pull/936
* Update to Sphinx 2.7.0 by jan-janssen in https://github.com/pyiron/pyiron/pull/937
* Update pysqa dependence by jan-janssen in https://github.com/pyiron/pyiron/pull/938
New Contributors
* uday-gajera made their first contribution in https://github.com/pyiron/pyiron/pull/260
* raynol-dsouza made their first contribution in https://github.com/pyiron/pyiron/pull/261
* Ahmed-Aslam made their first contribution in https://github.com/pyiron/pyiron/pull/272
* FeLoch made their first contribution in https://github.com/pyiron/pyiron/pull/330
* Alaukiksaxena made their first contribution in https://github.com/pyiron/pyiron/pull/513
* ashtonmv made their first contribution in https://github.com/pyiron/pyiron/pull/592
* suhyunyoo made their first contribution in https://github.com/pyiron/pyiron/pull/458
* srmnitc made their first contribution in https://github.com/pyiron/pyiron/pull/787
* prince-mathews made their first contribution in https://github.com/pyiron/pyiron/pull/895
**Full Changelog**: https://github.com/pyiron/pyiron/compare/pyiron-0.2.0...pyiron-0.3.0