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protected
0d0fcc54
·
Merge branch 'lammpslib-tests-potential-files' into 'master'
·
Nov 25, 2020
cleanup-fluff
0e83bd71
·
remove tables with data. The module is undocumented (according to git grep)
·
Nov 24, 2020
less-pickle
b4467104
·
try to avoid cyclic imports. This may cause some scripts to crash but what can we do.
·
Nov 23, 2020
psi4-factory
20f212b0
·
ignore flake
·
Nov 20, 2020
blindfix-file-handling-in-calculators
25599d06
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Merge branch 'master' into 'blindfix-file-handling-in-calculators'
·
Nov 17, 2020
vibrations-without-pickle
ead5b0ed
·
flakes
·
Nov 12, 2020
gpfp
037e0971
·
Dont update ascale along with delta anymore
·
Nov 03, 2020
precon-neb-v2
4f1c51be
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simplify test_smallcell.py
·
Oct 29, 2020
bondmin
c30f4a67
·
Fix indentation error
·
Oct 21, 2020
rmsd_comparison
5b9e76d9
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Merge branch 'master' into rmsd_comparison
·
Oct 21, 2020
code-quality-ci-check
0430119f
·
relax criteria somewhat more
·
Oct 11, 2020
remove-unused-ase.optimize.test
7784d92d
·
remove unused modules in ase.optimize.test
·
Oct 10, 2020
deprecate-crystal-structure-from-cell
546c98f3
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deprecate crystal_structure_from_cell()
·
Oct 04, 2020
761-bug-reading-of-vasprun-xml-fails-if-any-eigenvalue-equals
20b55310
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Merge branch 'remove-qmmm-manyqm' into 'master'
·
Oct 03, 2020
calculator-no-more-shellcommand
1cd2e0c8
·
flake
·
Oct 02, 2020
fix-reciprocal-cli-1d-test
50a8907e
·
1-d cells must be along x-axis
·
Sep 24, 2020
cherrypick-datadriven
83ebca22
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Merge branch 'master' into cherrypick-datadriven
·
Sep 23, 2020
rename-dos-plot
a2408cf8
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rename dos.plot_dos() to dos.plot()
·
Sep 21, 2020
ase-config-file
4b721100
·
flake
·
Sep 15, 2020
more-qmmm-coverage
b2af0eaf
·
include manyqm calculator in coverage
·
Sep 07, 2020
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