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sphinx2
9e3493a6
·
Add missing bibtex statement
·
Jan 22, 2022
external_libxc
7f9aa342
·
Fix external Libxc and check version
·
Jan 25, 2022
nq_improvements
d059c1de
·
Update files.
·
Jan 25, 2022
nq_libxc_standards
d5d9e386
·
Fix input to verification.
·
Jan 26, 2022
test_pipeline
6512fd73
·
test pipeline
·
Jan 27, 2022
libxc521
ef17929e
·
Update Libxc to 5.2.2.
·
Feb 01, 2022
functional_db
8695b27e
·
Merge branch 'master' into functional_db
·
Feb 03, 2022
326-origin-of-shac-keyword
dd05e6d7
·
Merge remote-tracking branch 'origin/master' into 326-origin-of-shac-keyword
·
Feb 03, 2022
nq_performance
1ba9e606
·
Move unused variables.
·
Feb 04, 2022
Symmetry_Info_Fix
13936eb6
·
Initialize Lu if unit not opened.
·
Feb 04, 2022
fix_test
e91b4315
·
Merge remote-tracking branch 'origin/master' into fix_test
·
Feb 04, 2022
nq_direct
0c24ff49
·
Regerenerate verification.
·
Feb 04, 2022
onegrid
f3572d70
·
Remove debug print statement, sloppy.
·
Feb 06, 2022
nq_info
8066c53d
·
Remove more unused variables.
·
Feb 06, 2022
nac_sym
5d11eec6
·
Merge branch 'master' into nac_sym
·
Feb 07, 2022
datatypes
7033d773
·
Increase bounds memory
·
Feb 08, 2022
libxc_noder
17d14cf2
·
2nd derivatives are not used by OpenMolcas so we don't need to compile them in Libxc.
·
Feb 09, 2022
Eliminate_MXMT
426e6b1c
·
Merge branch 'master' into Eliminate_MXMT
·
Feb 10, 2022
Grid_on_Disk
f8df69cf
·
Merge branch 'master' into Grid_on_Disk
·
Feb 10, 2022
random
9a97a9f7
·
Fix use of random
·
Feb 15, 2022
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