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cherrypick-datadriven
8cba43fd
·
Merge branch 'master' into cherrypick-datadriven
·
Jul 29, 2021
subprocess-calculator
eeb6e768
·
partially document subprocess calculator
·
Jul 27, 2021
codes
9cea53f1
·
initialize code package
·
Jul 10, 2021
no-atoms-in-constructor
92fbd6d7
·
surprisingly few changes to deprecate Calculator(atoms=atoms)
·
Jul 08, 2021
npt-fix-docstrings
eba61921
·
Merge branch 'master' into 'npt-fix-docstrings'
·
Apr 11, 2021
oct-unittests
45f6a4f8
·
Merge branch 'master' into oct-unittests
·
Apr 07, 2021
runner-test-branch
f1bbf29a
·
try to write meaningful test job
·
Mar 12, 2021
refstates-mapping
621c25c4
·
very WIP additions to refstate stuff
·
Feb 28, 2021
ascii-plot
9bff6fb9
·
Merge branch 'master' into ascii-plot
·
Feb 18, 2021
asymmetric-structure
5ff36cb0
·
clean up
·
Feb 02, 2021
multifile-cache-vibrations
bc4a9184
·
more stupid work due to stupid duplication *grrr*
·
Jan 01, 2021
!1
magmoms-object
3024a770
·
change name to "paired"
·
Dec 21, 2020
vibrations-without-pickle
589a3952
·
wtf, refrain from editing calculator of the input atoms when visualizing them
·
Nov 27, 2020
more-fileclosing-context-managers
81a4c7cd
·
get_txt() was used once, by jacapo, but not nowadays. It is not documented. Remove the function.
·
Nov 27, 2020
center-includes-zero-cellvectors
4e0ba232
·
WIP: test of atoms centering
·
Nov 07, 2020
close-more-files-correctly
eb66975e
·
modernize trajectory test and make sure files are closed correctly
·
Nov 06, 2020
calculator-no-more-shellcommand
1cd2e0c8
·
flake
·
Oct 02, 2020
split-calculator-commands
e0cfb58b
·
rename and finalize test
·
Oct 02, 2020
ase-parameters
7f97b21f
·
work on configs/parameters
·
Sep 18, 2020
new-calculator-framework
330d93ae
·
draft of new classes
·
Sep 14, 2020
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