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Created date
Update README
!13
· created
Sep 05, 2024
by
James Misaka
1
updated
Sep 06, 2024
update regonization of ABACUS STRU
!12
· created
Sep 02, 2024
by
James Misaka
Merged
updated
Sep 02, 2024
delete redundant comma
!11
· created
Jul 04, 2024
by
James Misaka
Merged
updated
Jul 04, 2024
Enhancement: make regular expression of function `_parse_stress` more general
!10
· created
May 22, 2024
by
kirk0830
Merged
updated
May 22, 2024
LATTICE_CONSTANT synchornized to ATOMKIT
!9
· created
Jan 19, 2024
by
James Misaka
Merged
updated
Jan 26, 2024
Expose an attribute so that unconverged results can be read.
!8
· created
Nov 30, 2023
by
Scott Wu
Merged
updated
Dec 01, 2023
Update abacus.py, delete excess colons.
!7
· created
Oct 19, 2023
by
xiaozhezhang
Merged
Approved
updated
Oct 20, 2023
get forces consistent with atomic order
!6
· created
Oct 13, 2023
by
Scott Wu
Merged
Approved
updated
Oct 20, 2023
add ase-abacus to defect branch
!5
· created
Sep 24, 2023
by
jiyuyang
defect-setup-utils
Merged
updated
Sep 24, 2023
Fix: ase-abacus fails if the STRU file doesn't end with an empty line
!4
· created
May 05, 2023
by
hongriTianqi
Merged
updated
May 05, 2023
Bug: fix magmom setting for multiple element systems
!3
· created
Dec 23, 2022
by
hongriTianqi
Merged
1
updated
Dec 25, 2022
docs: add Abacus in calculators.rst
!2
· created
Sep 22, 2022
by
hongriTianqi
Merged
updated
Sep 22, 2022
doc: docs of ase-abacus interface
!1
· created
Sep 14, 2022
by
hongriTianqi
Merged
updated
Sep 14, 2022