Tcutility

**Full Changelog**: https://github.com/TheoChem-VU/TCutility/compare/v0.13.2...v0.13.3

This update fixes some longstanding bugs.

What's Changed
* Added missing references for some D3/D3BJ parametrization by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/249
* Added a missing settings object for DFTBJob by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/241
* Added missing citations for ASM by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/248
* Fixed Orca frequencies not being read correctly with numerical frequencies by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/246
* Fixed error related to lingering KFFiles when rerunning jobs by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/247
* Fixed an issue related to failed jobs and KFFile creation by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/253


**Full Changelog**: https://github.com/TheoChem-VU/TCutility/compare/v0.13.1...v0.13.2

What's Changed
* Add geometric parameter function and the new `tc geo` command by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/236
* Fixed an issue where dependencies were not being set by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/238


**Full Changelog**: https://github.com/TheoChem-VU/TCutility/compare/v0.13.0...v0.13.1

Major Changes
* The new citation module. You can now use the `tc cite` module to generate citation for various concepts, such as functionals, methodolgies or programs. You can also supply any DOI code.
* We added the `XTBJob` class that interfaces Grimme's xtb program. This is a tight-binding code that, among other things, supports spin-polarized DFTB calculations.
* The new `cache_file` decorator that stores results in a local file.
* A new timing module that provides an easy way to profile your code.


What's Changed
* Fixed missing settings attribute for ORCAJob by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/226
* Added tcutility.log.rectangle_list by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/224
* Added citation module and added references for many functionals by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/222
* Added the cache_file decorator by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/221
* Implement xtbjob class by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/187
* The timing module by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/229
* New delete_on_fail option for Jobs by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/231
* Check job pre-run function by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/230


**Full Changelog**: https://github.com/TheoChem-VU/TCutility/compare/v0.12.0...v0.13.0

What's Changed
* Now casting the return dict object to a Result object for guess_fragments by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/192
* Now reading the s2 operator expectation value and calculating spin contamination for adf calculations by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/194
* Added job inheriting by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/186
* Added support for generator expressions for loadbar by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/198
* Added the __sizeof__ method and also the getsizeof method by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/200
* Added the settings attribute for DensfJob by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/202
* We can now get functional info by the path safe name by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/216
* Added the radical dot to formula.molecule by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/214
* We now read some PESScan properties by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/213
* Improvements to ORCA support by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/207
* Added character width prediction by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/209
* Added missing functionals and removed broken ones by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/218


**Full Changelog**: https://github.com/TheoChem-VU/TCutility/compare/v0.11.1...v0.11.2

What's Changed
* Calculation will now not run if its set-up failed by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/185
* Added sampling of minimum volume spheroids of molecules by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/181
* Fixed an issue where `data/atom_data/norbs.json` was not included in the TCutility package

**Full Changelog**: https://github.com/TheoChem-VU/TCutility/compare/v0.11.0...v0.11.1