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orb-hybrid
795f47c0
·
Merge branch 'release-1.0.0' into orb-hybrid
·
Oct 17, 2022
release-1.0.0
319f4592
·
Merge branch 'ADIIS' into release-1.0.0
·
Oct 11, 2022
!33
ADIIS
af72adc0
·
Fixed BFGS error handling.
·
Sep 06, 2022
EDIIS
6ebb0331
·
Merge branch 'release-1.0.0' into EDIIS
·
Aug 27, 2022
archive/diag-custom-conv
27d4a474
·
Fixed typo in variable reference.
·
Jun 13, 2022
scf-rework
744ea3c1
·
Removed CMakeLists unused comments and depreciated options.
·
Oct 27, 2021
python
f757a59c
·
Fixed typos.
·
Feb 25, 2021
147-tddft-rework-plan
fe5cc799
·
Slight change to test.
·
Feb 21, 2021
PBC_singleton_class
c9a41f47
·
Change methods' name. (No Camel. To Snake Case)
·
Aug 13, 2020
paw-xc
f37cd1d1
·
Merge branch 'release-1.0.0' into paw-xc
·
Jul 31, 2020
master
default
protected
ab80aeea
·
Merge branch 'patch-2' into 'master'
·
Jul 31, 2020
performance-test
206ed29e
·
Merge branch 'release-1.0.0' of
https://gitlab.com/aceteam.kaist/ACE-Molecule
into release-1.0.0
·
Mar 03, 2020
windowed-sinc
a8702c36
·
Added windowed sinc basis, good gradient but norm/etc not tested.
·
Feb 28, 2020
filtering
687a13f9
·
Eliminate 'Adding uniform charge' part in get_deformation_charge function.
·
Jan 30, 2020
archive/python-interface
d0ed3c05
·
Removed unnecessary files.
·
Jun 26, 2019
archive/psolver
b344d548
·
Revise aseinput/ACE_opt.py
·
Apr 23, 2019