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ase-convert-read-write-args-stdin-fix
cc320e91
·
remove debug print
·
Aug 07, 2019
cherry-pick-bd212d97
6ee218d9
·
Merge branch '395_fix_docutils_text_to_inline' into 'master'
·
Jul 29, 2019
ase-3.18.0
e88fa559
·
bump version number to 3.19.0b1
·
Jul 19, 2019
vasp_create_input2
01f833ac
·
initial commit
·
Jul 18, 2019
psql-test
783e8df9
·
Turn on output for PSQL tests
·
Jun 28, 2019
active_learning
c3ce8f1a
·
Merge branch 'OpenMX.HK.hotfix' into 'master'
·
Jun 25, 2019
vdW_dict
826382af
·
Enable using TS09 vdW correction when the underlying functional is specified...
·
Jun 25, 2019
fix-label-directory-issue
9bae0c3b
·
add prefix= keyword to Calculator, so we won't need label at all. Handle...
·
Jun 21, 2019
rmsd_comparison
168bd6fb
·
removed line groups (not ready)
·
Jun 20, 2019
fix-2d-square-recognition
93170cad
·
Fix comments
·
Jun 16, 2019
mypy-test
2cd6c5d0
·
Fix type hint
·
May 28, 2019
crystal-data
0b921693
·
add data and methods to tell which crystal systems, lattice systems, and...
·
May 10, 2019
2d-bravais-lattices
03ca6496
·
Revert
·
May 09, 2019
kursus-10031
726af73e
·
Prevent atoms from being on the edge of the simulation cell in carbon nanotubes.
·
Apr 29, 2019
KimHyeonsu/ase-ACE-Molecule_Geometry_OPT
5a0f4fc4
·
parameters should be an instance variable, not a class variable. Same for...
·
Apr 14, 2019
use_iread
dd07e219
·
restore dlp4 file position after building chunk
·
Apr 03, 2019
doslist-class
f64566b4
·
add shortcut function to get doslist from a calculator -- currently sums over...
·
Mar 23, 2019
quickinfo_movie
848ae65a
·
Move observer functions, and adjust comments
·
Mar 18, 2019
fix_vasp_xml_test
d01caa5e
·
BUG: vasp_xml.py testing failing for single-core vasp runs. Also slow.
·
Mar 12, 2019
remove-parameters-read
ee00a0fd
·
remove the Parameters.read() function; we should move to JSON for...
·
Feb 22, 2019
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