- Added new features in the vasp_plot module (e.g. Lorentzian broadening of the DOS curve). - Added new features for common neighbor analysis in the vasp module. - Added feature of labeling atom with their atom properties in the vasp_plot module. - Fixed some bugs in the vasp_plot module (e.g. the MatplotlibDeprecationWarning caused by fig_dos.add_subplot()) - Enable the conversion of DVM interatomic energy results to a .tex LaTeX file. - Added frozeninfo of some transition elements in the DVM module. - Added new tests files under the pytest framework. - Rewrote the GUI program using PyQt5. - Added versioning info to the matsdp.log file. - Fixed bugs in opening empty files.
0.1.9
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- Added the function of checking the job finished status in the vasp and the dvm module. - Fixed some bugs in building multiple DVM jobs function in the dvm module.
0.1.8
-------------------------------- - The v0.1.7 was removed and unable to be uploaded because of the version naming problem in PyPI (Only allow to upload the same version once without minor modification). - Some changes in the dvm module.
0.1.6
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- The dvm module is added - The information of the interatomic energy can be extracted and the DVM input files can be written.
0.1.5
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- The dvm module is removed. - The function of atom selection is added to the vasp_build module, which allowes the users to build the dvm model and automatically generate the *.incar file of the DVM program.
0.1.4
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- The dvm module is added, which allows the users to build the dvm model by atom selection from the POSCAR file and automatically generate the *.incar file.