deepmodeling reacnetgenerator issues

deepmodeling / reacnetgenerator

an automatic reaction network generator for reactive molecular dynamics simulation

https://docs.deepmodeling.com/projects/reacnetgenerator/

GNU Lesser General Public License v3.0

65 stars 39 forks source link

issues

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ci: use Python 3.12 for benchmark

#2231 njzjz closed 4 months ago
3
[pre-commit.ci] pre-commit autoupdate

#2230 pre-commit-ci[bot] closed 4 months ago
2
build(deps): bump pypa/cibuildwheel from 2.17 to 2.18

#2229 dependabot[bot] closed 4 months ago
1
build(deps-dev): bump sass from 1.77.0 to 1.77.1 in /reacnetgenerator/static/webpack

#2228 dependabot[bot] closed 4 months ago
1
build(conda): update conda file

#2227 njzjz closed 5 months ago
3
ci(docker): fix docker image tags

#2226 njzjz closed 5 months ago
3
chore: add release configuration

#2225 njzjz closed 5 months ago
3
feat: lazy import to ensure cli performance

#2224 njzjz closed 5 months ago
3
docs: add example for cell

#2223 njzjz closed 5 months ago
3
test: add benchmark for cli

#2222 njzjz closed 5 months ago
3
refact: refactor merging iso using VF2

#2221 njzjz closed 5 months ago
3
build(deps-dev): bump css-minimizer-webpack-plugin from 6.0.0 to 7.0.0 in /reacnetgenerator/static/webpack

#2220 dependabot[bot] closed 5 months ago
1
build(deps-dev): bump sass from 1.76.0 to 1.77.0 in /reacnetgenerator/static/webpack

#2219 dependabot[bot] closed 5 months ago
1
ci: benchmark using codspeed

#2218 njzjz closed 5 months ago
3
[pre-commit.ci] pre-commit autoupdate

#2217 pre-commit-ci[bot] closed 5 months ago
1
ci(wheel): enable linux aarch64 wheel

#2216 njzjz closed 5 months ago
3
build: enable Python limited API

#2215 njzjz closed 5 months ago
2
chore: temporarily use pure Python implementation of `idx_to_signal`

#2214 njzjz closed 5 months ago
2
chore: faster check_zero_signal

#2213 njzjz closed 5 months ago
2
support `python -m reacnetgenerator`

#2212 njzjz closed 5 months ago
2
build(deps-dev): bump sass from 1.75.0 to 1.76.0 in /reacnetgenerator/static/webpack

#2211 dependabot[bot] closed 5 months ago
0
[pre-commit.ci] pre-commit autoupdate

#2210 pre-commit-ci[bot] closed 5 months ago
1
build(deps-dev): bump cssnano-preset-advanced from 6.1.2 to 7.0.1 in /reacnetgenerator/static/webpack

#2209 dependabot[bot] closed 5 months ago
0
build(deps-dev): bump cssnano from 7.0.0 to 7.0.1 in /reacnetgenerator/static/webpack

#2208 dependabot[bot] closed 5 months ago
0
build(deps-dev): bump cssnano-preset-advanced from 6.1.2 to 7.0.0 in /reacnetgenerator/static/webpack

#2207 dependabot[bot] closed 5 months ago
1
build(deps-dev): bump cssnano from 6.1.2 to 7.0.0 in /reacnetgenerator/static/webpack

#2206 dependabot[bot] closed 5 months ago
0
[pre-commit.ci] pre-commit autoupdate

#2205 pre-commit-ci[bot] closed 5 months ago
1
build(deps): bump jsrender from 1.0.13 to 1.0.14 in /reacnetgenerator/static/webpack

#2204 dependabot[bot] closed 5 months ago
0
build: migrate to scikit-build-core

#2203 njzjz closed 5 months ago
1
ci(build): merge cibuildwheel jobs

#2202 njzjz closed 5 months ago
1
ci(build): use uv for cibuildwheel

#2201 njzjz closed 5 months ago
1
docs: setup uv for read the docs

#2200 njzjz closed 5 months ago
1
ci: tidy bibtex

#2199 njzjz closed 5 months ago
1
build(deps-dev): bump sass from 1.74.1 to 1.75.0 in /reacnetgenerator/static/webpack

#2198 dependabot[bot] closed 5 months ago
1
build(deps-dev): bump sass-loader from 14.1.1 to 14.2.1 in /reacnetgenerator/static/webpack

#2197 dependabot[bot] closed 5 months ago
1
build(deps-dev): bump mini-css-extract-plugin from 2.8.1 to 2.9.0 in /reacnetgenerator/static/webpack

#2196 dependabot[bot] closed 5 months ago
1
CI: accelerate CI using uv

#2195 njzjz closed 5 months ago
1
feat(build): Add Git archives version files

#2194 njzjz-bot closed 5 months ago
1
run_mp filed

#2193 JRDiana0307 opened 6 months ago
1
build(deps): bump tar from 6.2.0 to 6.2.1 in /reacnetgenerator/static/webpack

#2192 dependabot[bot] closed 5 months ago
0
CI: Mirror the repository to Gitee

#2191 njzjz-bot closed 6 months ago
1
build(deps-dev): bump css-loader from 7.0.0 to 7.1.1 in /reacnetgenerator/static/webpack

#2190 dependabot[bot] closed 5 months ago
0
build(deps-dev): bump css-loader from 7.0.0 to 7.1.0 in /reacnetgenerator/static/webpack

#2189 dependabot[bot] closed 6 months ago
1
build(deps-dev): bump style-loader from 3.3.4 to 4.0.0 in /reacnetgenerator/static/webpack

#2188 dependabot[bot] closed 5 months ago
0
build(deps-dev): bump css-loader from 6.10.0 to 7.0.0 in /reacnetgenerator/static/webpack

#2187 dependabot[bot] closed 6 months ago
0
build(deps-dev): bump sass from 1.72.0 to 1.74.1 in /reacnetgenerator/static/webpack

#2186 dependabot[bot] closed 6 months ago
0
build(deps-dev): bump css-loader from 6.10.0 to 6.11.0 in /reacnetgenerator/static/webpack

#2185 dependabot[bot] closed 6 months ago
1
[pre-commit.ci] pre-commit autoupdate

#2184 pre-commit-ci[bot] closed 5 months ago
1
feat: add NumPy 2.0 support

#2183 njzjz closed 6 months ago
1
build(deps-dev): bump cssnano-preset-advanced from 6.1.1 to 6.1.2 in /reacnetgenerator/static/webpack

#2182 dependabot[bot] closed 5 months ago
1

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