issues
search
njzjz
/
dpdata_qdpi
dpdata plugin for QDπ
GNU Lesser General Public License v3.0
0
stars
2
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
fix: remove ref-names from .git_archival.txt
#42
njzjz-bot
closed
3 months ago
1
fix: remove ref-names from .git_archival.txt
#41
njzjz-bot
closed
3 months ago
1
[pre-commit.ci] pre-commit autoupdate
#40
pre-commit-ci[bot]
opened
4 months ago
1
fix: set OrbitalResolvedSCC to No
#39
njzjz
closed
4 months ago
1
bump ase to 3.23.0
#38
njzjz
closed
4 months ago
1
pref: lazy import ase
#37
njzjz
closed
4 months ago
1
ci(test): install tox-uv
#36
njzjz
opened
6 months ago
0
feat(build): Add Git archives version files
#35
njzjz-bot
closed
6 months ago
1
[pre-commit.ci] pre-commit autoupdate
#34
pre-commit-ci[bot]
closed
4 months ago
1
Dependency Dashboard
#33
renovate[bot]
opened
6 months ago
0
chore(deps): update actions/setup-python action to v5
#32
renovate[bot]
closed
6 months ago
0
chore(deps): update actions/checkout action to v4
#31
renovate[bot]
closed
6 months ago
0
set DFTB+ ParserOptions_ParserVersion to 13
#30
njzjz
closed
6 months ago
0
skip dftb+api tests
#29
njzjz
closed
6 months ago
1
pin dftbplus to <24
#28
njzjz
closed
6 months ago
0
bump ase to a newer version
#27
njzjz
closed
6 months ago
1
ci: trigger tests on PR
#26
njzjz
closed
6 months ago
0
CI: Bump codecov/codecov-action from v3 to v4
#25
njzjz-bot
closed
6 months ago
0
[pre-commit.ci] pre-commit autoupdate
#24
pre-commit-ci[bot]
closed
6 months ago
1
move to ruff format
#23
njzjz
closed
11 months ago
1
disable MPI in UT
#22
njzjz
closed
11 months ago
1
[pre-commit.ci] pre-commit autoupdate
#21
pre-commit-ci[bot]
closed
11 months ago
1
[pre-commit.ci] pre-commit autoupdate
#20
pre-commit-ci[bot]
closed
1 year ago
1
add more HubbardDerivs data for future use
#19
njzjz
closed
1 year ago
1
add DFTB+ Python API backend
#18
njzjz
closed
1 year ago
1
add QDPi v2
#17
njzjz
closed
1 year ago
1
apply ruff rules
#16
njzjz
closed
1 year ago
1
use OIDC to publish packages
#15
njzjz
closed
1 year ago
0
Units used in qdpi.pb model
#14
JohannesKarwou
closed
1 year ago
7
[pre-commit.ci] pre-commit autoupdate
#13
pre-commit-ci[bot]
closed
1 year ago
1
Configure Renovate
#12
renovate[bot]
closed
6 months ago
1
[pre-commit.ci] pre-commit autoupdate
#11
pre-commit-ci[bot]
closed
1 year ago
0
add dftb+ tests
#10
njzjz
closed
1 year ago
1
enable sqm tests
#9
njzjz
closed
1 year ago
1
improve class parameters
#8
njzjz
closed
1 year ago
0
use and run pre-commit to format codes
#7
njzjz
closed
1 year ago
0
fix the package name in package-data
#6
njzjz
closed
1 year ago
0
set minimal dpdata requirement to 0.2.7
#5
njzjz
closed
1 year ago
0
fix circular import
#4
njzjz
closed
1 year ago
0
add license and readme to pyproject.toml
#3
njzjz
closed
1 year ago
0
add github actions
#2
njzjz
closed
1 year ago
0
rename package; add docs and tests
#1
njzjz
closed
1 year ago
0