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Inactive
Commits
: Listings
Analyzed
about 9 hours
ago. based on code collected
about 15 hours
ago.
Apr 23, 2023 — Apr 23, 2024
Showing page 1 of 4
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Commit Message
Contributor
Files Modified
Lines Added
Lines Removed
Code Location
Date
support reading CIF files through Gemmi
Marcin Wojdyr
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over 5 years ago
add Sn lattice for Junnan
Marcin Wojdyr
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over 6 years ago
avoid dividing by zero
Marcin Wojdyr
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over 8 years ago
csl.py: fix bug in swapping rows of 3x3 matrix (closes #1)
Marcin Wojdyr
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about 9 years ago
Update README.md
Marcin Wojdyr
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about 9 years ago
added README.md
Marcin Wojdyr
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about 9 years ago
added .gitignore
Marcin Wojdyr
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about 9 years ago
csl.py: handle KeyboardInterrupt
Marcin Wojdyr
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about 9 years ago
bicrystal.py: removed non-working example
Marcin Wojdyr
as wojdyr
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over 11 years ago
fixed several minor bugs and warnings found by pylint
Marcin Wojdyr
as wojdyr
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about 12 years ago
small modification to the .gin format
Marcin Wojdyr
as wojdyr
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almost 13 years ago
removed wrong assertion in csl.py and cosmetic changes
Marcin Wojdyr
as wojdyr
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almost 13 years ago
added option max_angle=ANGLE to csl.py
Marcin Wojdyr
as wojdyr
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almost 13 years ago
changed how subprocess.Popen() opens qhull
Marcin Wojdyr
as wojdyr
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about 13 years ago
mdfile.py: added option --vibrate
Marcin Wojdyr
as wojdyr
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about 13 years ago
s/i != 0/abs(i) > 1e-9/
Marcin Wojdyr
as wojdyr
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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
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over 13 years ago
improved (or rather fixed) find_orthorhombic_pbc()
Marcin Wojdyr
as wojdyr
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over 13 years ago
a very minor change: put assertions in a different order
Marcin Wojdyr
as wojdyr
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over 13 years ago
fixed syntax error (missing brackets) and unrelated change in two commented out lines
Marcin Wojdyr
as wojdyr
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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
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over 13 years ago
fixed what looked like a bug in Model.make_vacancies()
Marcin Wojdyr
as wojdyr
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over 13 years ago
bicrystal.py: * added option for heterphase interfaces * a bit of code cleaning
Marcin Wojdyr
as wojdyr
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over 13 years ago
refactored monocryst.py: keep lattice parameters and atomic symbols in one place
Marcin Wojdyr
as wojdyr
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over 13 years ago
added Fe bcc lattice, refactored monocryst.get_named_lattice()
Marcin Wojdyr
as wojdyr
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over 13 years ago
more verbose error message in the VASP POSCAR reading code.
Marcin Wojdyr
as wojdyr
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over 13 years ago
added empty __init__.py
Marcin Wojdyr
as wojdyr
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over 13 years ago
ldump2cfg.py: renaming finished
Marcin Wojdyr
as wojdyr
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over 13 years ago
renamed dump2aux to ldump2cfg
Marcin Wojdyr
as wojdyr
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over 13 years ago
graingen.py: removed unused argument in one function
Marcin Wojdyr
as wojdyr
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over 13 years ago
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