njzjz/dpamber issues and pull requests

#65 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: open - Opened by pre-commit-ci[bot] 4 months ago - 1 comment
Labels: size/XS

#64 - fix: remove ref-names from .git_archival.txt

Pull Request - State: closed - Opened by njzjz-bot 5 months ago - 1 comment
Labels: size/XS

#63 - fix: remove ref-names from .git_archival.txt

Pull Request - State: closed - Opened by njzjz-bot 5 months ago - 1 comment
Labels: size/XS

#62 - pref: lazy import ase

Pull Request - State: closed - Opened by njzjz 6 months ago
Labels: size/XS

#61 - fix(pyproject): replace `project.entry-points."console_scripts"` with `project.scripts`

Pull Request - State: closed - Opened by njzjz 7 months ago - 1 comment
Labels: size/XS

#60 - CI(test): install tox-uv

Pull Request - State: closed - Opened by njzjz 7 months ago - 1 comment
Labels: size/XS

#59 - feat(build): Add Git archives version files

Pull Request - State: closed - Opened by njzjz-bot 8 months ago - 1 comment
Labels: size/XS

#58 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 8 months ago - 1 comment
Labels: size/S

#57 - CI: Bump codecov/codecov-action from v3 to v4

Pull Request - State: closed - Opened by njzjz-bot 8 months ago
Labels: size/XS

#56 - ci: lint markdown and yaml

Pull Request - State: closed - Opened by njzjz 8 months ago - 1 comment
Labels: size/M

#55 - remove atom names with 0 atoms

Pull Request - State: open - Opened by njzjz 9 months ago - 2 comments
Labels: size/XS

#54 - chore(deps): update codecov/codecov-action action to v4 - autoclosed

Pull Request - State: closed - Opened by renovate[bot] 10 months ago
Labels: size/XS

#53 - chore(deps): update actions/setup-python action to v5

Pull Request - State: closed - Opened by renovate[bot] 12 months ago - 1 comment
Labels: size/XS

#52 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 1 year ago - 1 comment
Labels: size/XS

#51 - ignore energy with *

Pull Request - State: closed - Opened by njzjz about 1 year ago
Labels: size/XS

#50 - move to ruff formatter

Pull Request - State: closed - Opened by njzjz about 1 year ago
Labels: size/S

#49 - chore(deps): update codecov/codecov-action action to v4 - autoclosed

Pull Request - State: closed - Opened by renovate[bot] about 1 year ago
Labels: size/XS

#48 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 1 year ago - 1 comment
Labels: size/XS

#47 - merge from next to main

Pull Request - State: closed - Opened by njzjz about 1 year ago - 1 comment
Labels: size/XL

#46 - make drdq non-zero with atoms in only selected reaction coordinates

Pull Request - State: closed - Opened by njzjz about 1 year ago - 1 comment
Labels: size/S

#45 - merge from main to next

Pull Request - State: closed - Opened by njzjz about 1 year ago
Labels: size/S

#44 - requires dpdata 0.2.16

Pull Request - State: closed - Opened by njzjz about 1 year ago - 1 comment
Labels: size/XS

#43 - fix UT

Pull Request - State: closed - Opened by njzjz about 1 year ago - 1 comment
Labels: size/XS

#42 - chore(deps): update actions/checkout action to v4

Pull Request - State: closed - Opened by renovate[bot] about 1 year ago
Labels: size/XS

#41 - fix resdiue index for QM/MM mixed residue

Pull Request - State: closed - Opened by njzjz over 1 year ago - 1 comment
Labels: size/S

#40 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago - 1 comment
Labels: size/XS

#39 - switch to dpdata@devel

Pull Request - State: closed - Opened by njzjz over 1 year ago
Labels: size/XS

#38 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago - 1 comment
Labels: size/XS

#37 - register dpdata plugins

Pull Request - State: closed - Opened by njzjz over 1 year ago
Labels: size/S

#36 - support generating drdq

Pull Request - State: closed - Opened by njzjz over 1 year ago - 1 comment
Labels: size/XL

#35 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago - 1 comment
Labels: size/XS

#34 - fix: align type_map in model_devi

Pull Request - State: closed - Opened by njzjz over 1 year ago
Labels: size/XS

#33 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago - 1 comment
Labels: size/XS

#32 - fix: residue index starts from 1

Pull Request - State: closed - Opened by njzjz over 1 year ago - 1 comment
Labels: size/L

#31 - dump residue index

Pull Request - State: closed - Opened by njzjz over 1 year ago - 1 comment
Labels: size/L

#30 - fix the command in README

Pull Request - State: closed - Opened by njzjz over 1 year ago
Labels: size/XS

#29 - fix model_devi when EP does not exist

Pull Request - State: closed - Opened by njzjz over 1 year ago
Labels: size/XS

#28 - Update actions/setup-python action to v4

Pull Request - State: closed - Opened by renovate[bot] over 1 year ago - 1 comment
Labels: size/XS

#27 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago - 1 comment
Labels: size/XS

#26 - Update actions/checkout action to v3

Pull Request - State: closed - Opened by renovate[bot] over 1 year ago - 1 comment
Labels: size/XS

#25 - fix release action

Pull Request - State: closed - Opened by njzjz over 1 year ago
Labels: size/S

#24 - Update dependency parmed to v4

Pull Request - State: closed - Opened by renovate[bot] over 1 year ago - 2 comments
Labels: size/XS

#23 - fix the model deviation feature

Pull Request - State: closed - Opened by njzjz over 1 year ago
Labels: size/L

#22 - support reading from MD output

Pull Request - State: closed - Opened by njzjz over 1 year ago - 1 comment
Labels: size/M

#21 - change the center to wrap the coords

Pull Request - State: closed - Opened by njzjz over 1 year ago - 1 comment
Labels: size/S

#20 - skip uncoverage systems

Pull Request - State: closed - Opened by njzjz over 1 year ago - 1 comment
Labels: size/L

#19 - use OIDC to publish packages

Pull Request - State: closed - Opened by njzjz over 1 year ago - 1 comment
Labels: size/XS

#18 - fix coverage report

Pull Request - State: closed - Opened by njzjz over 1 year ago - 1 comment
Labels: size/XS

#17 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago - 1 comment
Labels: size/XS

#16 - chore(deps): update dependency parmed to v4

Pull Request - State: closed - Opened by renovate[bot] over 1 year ago - 2 comments
Labels: size/XS

#15 - format with ruff

Pull Request - State: closed - Opened by njzjz over 1 year ago
Labels: size/M

#14 - add tests

Pull Request - State: closed - Opened by njzjz over 1 year ago - 1 comment
Labels: size/XXL

#13 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago - 1 comment
Labels: PR: unreviewed, size/XS

#12 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] almost 2 years ago
Labels: size/XS, PR: reviewed-approved, PR: merged

#11 - fix parmed version

Pull Request - State: closed - Opened by njzjz almost 2 years ago
Labels: size/XS, PR: merged

#10 - add and run pre-commit to format codes

Pull Request - State: closed - Opened by njzjz almost 2 years ago
Labels: PR: merged, size/XL

#9 - why dpamber generate the datasets with box.npy, but still have the nopbc file?

Issue - State: closed - Opened by Renws almost 2 years ago - 3 comments

#8 - fix tox 4 compatibilities

Pull Request - State: closed - Opened by njzjz almost 2 years ago
Labels: size/XS, PR: merged

#7 - support nopbc for dpdata plugin

Pull Request - State: closed - Opened by njzjz almost 2 years ago
Labels: PR: merged, size/S

#6 - Dependency Dashboard

Issue - State: open - Opened by renovate[bot] about 2 years ago

#5 - dpamber

Issue - State: closed - Opened by RichardYjb about 2 years ago - 4 comments

#4 - add setuptools_scm; migrate to pyproject.yaml

Pull Request - State: closed - Opened by njzjz about 2 years ago
Labels: PR: merged, size/M

#3 - automatic release

Pull Request - State: closed - Opened by njzjz about 2 years ago
Labels: size/XS, PR: merged

#2 - Configure Renovate

Pull Request - State: closed - Opened by renovate[bot] about 3 years ago
Labels: size/XS, PR: merged, PR: partially-approved

#1 - [CRITICAL] Public Repositories are visible to all users

Issue - State: closed - Opened by prevent-public-repos[bot] over 3 years ago

GitHub / njzjz/dpamber issues and pull requests