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Commits : Listings

Analyzed about 9 hours ago. based on code collected about 15 hours ago.
Apr 23, 2023 — Apr 23, 2024
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
support reading CIF files through Gemmi More... over 5 years ago
add Sn lattice for Junnan More... over 6 years ago
avoid dividing by zero More... over 8 years ago
csl.py: fix bug in swapping rows of 3x3 matrix (closes #1) More... about 9 years ago
Update README.md More... about 9 years ago
added README.md More... about 9 years ago
added .gitignore More... about 9 years ago
csl.py: handle KeyboardInterrupt More... about 9 years ago
bicrystal.py: removed non-working example
Marcin Wojdyr
as wojdyr
More... over 11 years ago
fixed several minor bugs and warnings found by pylint
Marcin Wojdyr
as wojdyr
More... about 12 years ago
small modification to the .gin format
Marcin Wojdyr
as wojdyr
More... almost 13 years ago
removed wrong assertion in csl.py and cosmetic changes
Marcin Wojdyr
as wojdyr
More... almost 13 years ago
added option max_angle=ANGLE to csl.py
Marcin Wojdyr
as wojdyr
More... almost 13 years ago
changed how subprocess.Popen() opens qhull
Marcin Wojdyr
as wojdyr
More... about 13 years ago
mdfile.py: added option --vibrate
Marcin Wojdyr
as wojdyr
More... about 13 years ago
s/i != 0/abs(i) > 1e-9/
Marcin Wojdyr
as wojdyr
More... over 13 years ago
* more verbose output from bicrystal (added "boundary type" line) * csl.py: rename n to max_multiplier (that's a very important variable) and increase it to 27 * csl.py: removed one assertion
Marcin Wojdyr
as wojdyr
More... over 13 years ago
improved (or rather fixed) find_orthorhombic_pbc()
Marcin Wojdyr
as wojdyr
More... over 13 years ago
a very minor change: put assertions in a different order
Marcin Wojdyr
as wojdyr
More... over 13 years ago
fixed syntax error (missing brackets) and unrelated change in two commented out lines
Marcin Wojdyr
as wojdyr
More... over 13 years ago
bug fix in csl.py: some of the CSL boundaries were skipped, e.g. (<111> s=7 theta=38.2)
Marcin Wojdyr
as wojdyr
More... over 13 years ago
fixed what looked like a bug in Model.make_vacancies()
Marcin Wojdyr
as wojdyr
More... over 13 years ago
bicrystal.py: * added option for heterphase interfaces * a bit of code cleaning
Marcin Wojdyr
as wojdyr
More... over 13 years ago
refactored monocryst.py: keep lattice parameters and atomic symbols in one place
Marcin Wojdyr
as wojdyr
More... over 13 years ago
added Fe bcc lattice, refactored monocryst.get_named_lattice()
Marcin Wojdyr
as wojdyr
More... over 13 years ago
more verbose error message in the VASP POSCAR reading code.
Marcin Wojdyr
as wojdyr
More... over 13 years ago
added empty __init__.py
Marcin Wojdyr
as wojdyr
More... over 13 years ago
ldump2cfg.py: renaming finished
Marcin Wojdyr
as wojdyr
More... over 13 years ago
renamed dump2aux to ldump2cfg
Marcin Wojdyr
as wojdyr
More... over 13 years ago
graingen.py: removed unused argument in one function
Marcin Wojdyr
as wojdyr
More... over 13 years ago