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1d-cell-bz-fix
4b63ccbd
·
Revert "use utf-8 with the CLI, not bytes"
·
Feb 14, 2021
tgmaxson-master-patch-86147
7e09d15e
·
Add newton
·
Jan 28, 2021
ase-3.21.1
1ee466c6
·
bump version number to 3.21.2b1
·
Jan 24, 2021
bugfix-release-3.21.1
1ee466c6
·
bump version number to 3.21.2b1
·
Jan 24, 2021
fix-appveyor-trouble
eedf9ef2
·
use monkeypatch instead of mock
·
Jan 07, 2021
magmoms-object
3024a770
·
change name to "paired"
·
Dec 21, 2020
cherry-pick-008d0f35
a0814551
·
Merge branch 'nwchem-updates' into 'master'
·
Dec 04, 2020
gpfp
037e0971
·
Dont update ascale along with delta anymore
·
Nov 03, 2020
bondmin
c30f4a67
·
Fix indentation error
·
Oct 21, 2020
rmsd_comparison
5b9e76d9
·
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
·
deprecate crystal_structure_from_cell()
·
Oct 04, 2020
761-bug-reading-of-vasprun-xml-fails-if-any-eigenvalue-equals
20b55310
·
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
rename-dos-plot
a2408cf8
·
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
gui-tests-fix-matplotlib-initialization
05654555
·
fix subtle problem in GUI tests where GUI could import matplotlib before we get to set the backend
·
Sep 04, 2020
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