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Pull requests: CitrineInformatics/pif-dft

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Pull requests list

Bugfix: handle more verbose output from recent QE versions
#86 by hegdevinayi was merged Oct 8, 2019 Loading…
1
Put an upper bound on the ase version
#85 by maxhutch was merged Aug 5, 2019 Loading…
1
Resync develop
#83 by maxhutch was merged Oct 10, 2018 Loading…
Release 1.1.0: parse the atom counts and volumes
#82 by maxhutch was merged Oct 10, 2018 Loading…
7
Parse number of atoms, volumes
#81 by hegdevinayi was merged Sep 28, 2018 Loading…
11
Resync develop
#80 by maxhutch was merged Sep 27, 2018 Loading…
1
Release: 1.0.0
#78 by maxhutch was merged Feb 22, 2018 Loading…
1
Outcar bugfix
#77 by WardLT was merged Feb 9, 2018 Loading…
3
Added ability to filter which files a parser can read
#76 by WardLT was merged Feb 9, 2018 Loading…
30
Made detection of NION, NKPTS more robust
#75 by WardLT was merged Feb 6, 2018 Loading…
1
exclude "._*" files created by OSX
#74 by saurabh02 was merged Feb 6, 2018 Loading…
2
Support "convert" for VASP calculations that only include an OUTCAR
#73 by WardLT was merged Feb 5, 2018 Loading…
3
Handle parsing OUTCAR files that have extensions
#72 by WardLT was merged Feb 1, 2018 Loading…
8
Change API for 'If From' Method of Parsers
#71 by WardLT was merged Feb 1, 2018 Loading…
16
correct wavelength calculation and units
#70 by saurabh02 was merged Jan 26, 2018 Loading…
minor changes in Wien2k parser
#69 by saurabh02 was merged Jan 20, 2018 Loading…
2
minor bug fix -> add stress function to results
#68 by saurabh02 was merged Jan 10, 2018 Loading…
Bug fix -> ignoring remaining setting and result functions, also a left out result function (?)
#67 by saurabh02 was merged Jan 10, 2018 Loading…
Wien2k -> skip composition parsing
#66 by saurabh02 was merged Jan 10, 2018 Loading…
2
Add Wien2k not-yet
#65 by saurabh02 was merged Jan 8, 2018 Loading…
19
Parse the total magnetization using dftparse
#64 by maxhutch was merged Nov 19, 2017 Loading…
2
Resync develop
#63 by maxhutch was merged Oct 23, 2017 Loading…
Release: 0.3.1
#62 by maxhutch was merged Oct 23, 2017 Loading…
Support for pypif 2.x.x
#60 by maxhutch was merged Oct 20, 2017 Loading…
Resync develop
#59 by maxhutch was merged Oct 3, 2017 Loading…
ProTip! Updated in the last three days: updated:>2025-03-25.