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marc barbry
ase
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idpp-improvement
0542c4a8
·
Update neb.py to improve the idpp implementation's speed and flexibility.
·
Jun 09, 2016
vasp-interactive
aeb2d612
·
Add new calculator file for VASP running interactively
·
Jun 09, 2016
free_energy
513bc91c
·
Add free_energy to all_properties and SinglePointCalculator
·
Jun 14, 2016
vasp_xml_singlepointdft
b04d5d44
·
Make read_vasp_xml parse <calculation> sections with missing end tags
·
Jun 15, 2016
defect-tools
41905f63
·
fixed formatting issues according to pep8
·
Jun 15, 2016