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vasp_dev
db9ed763
·
Check if results from py4vasp are read and correct
·
Nov 18, 2021
calculator_refactor/exciting
e72eafc0
·
First commit: Replace parameterize import with pytest's decorator
·
Nov 17, 2021
1002-make-a-badge-on-gitlab-pointing-to-the-bar
cf1d87f6
·
Merge branch 'issue-868' into 'master'
·
Nov 17, 2021
fix-calculator-list
c34f5fef
·
Put list of calculators in table
·
Sep 14, 2021
fix-optimizer-path
dee9682e
·
trajectory accepts path
·
Sep 14, 2021
atoms_documentation_calc_fixes
8c9f003a
·
Fixed another reference to atoms in calculator definition
·
Sep 14, 2021
fix-make-filenames-explicit
e19323f7
·
fix forgot function argument #830
·
Sep 14, 2021
fix-pyformat
dcb0be80
·
fixed the atoms truncation in io/py.py
·
Sep 14, 2021
update-scipy-version
abb1b599
·
bump scipy version
·
Sep 14, 2021
961-typo-in-lennard-jones-doc-string
fe996a2f
·
Merge branch 'ase-deps-version-update' into 'master'
·
Sep 14, 2021
mask_vs_indices
e2906b28
·
Whitespace fixed.
·
Aug 12, 2021
remove-old-code
17a26866
·
delete undocumented module
·
Aug 04, 2021
turbomole-refactor-example
e103c1e2
·
remember newline
·
Jul 23, 2021
ci-custom-runner
895f261a
·
set test to xfail
·
Jul 21, 2021
xrdebye-refactor
0fb180a1
·
WIP: refactor xrdebye into XRD and SAXS objects
·
Jun 21, 2021
anonymous-formula
8935e224
·
Fix test
·
Jun 21, 2021
qmmm-refactor
664d826c
·
draft of refactoring for qmmm
·
May 20, 2021
aims-rewrite
748c9e47
·
flakes
·
Apr 16, 2021
npt-fix-docstrings
eba61921
·
Merge branch 'master' into 'npt-fix-docstrings'
·
Apr 11, 2021
parallel-tests
fe9444bf
·
MYPY
·
Apr 09, 2021
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