an automatic reaction network generator for reactive molecular dynamics simulation
LGPL-3.0 License
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idx_to_signal
by @njzjz in https://github.com/deepmodeling/reacnetgenerator/pull/2214
python -m reacnetgenerator
by @njzjz in https://github.com/deepmodeling/reacnetgenerator/pull/2212
formats:all
in the RTD config file by @njzjz in https://github.com/deepmodeling/reacnetgenerator/pull/2152
Full Changelog: https://github.com/deepmodeling/reacnetgenerator/compare/v1.6.12...v1.6.13
Published by njzjz 10 months ago
Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.6.11...v1.6.12
Published by njzjz 11 months ago
Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.6.10...v1.6.11
Published by njzjz 12 months ago
Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.6.9...v1.6.10
Published by njzjz 12 months ago
.paginationjs
style by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1833
Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.6.8...v1.6.9
Published by njzjz almost 2 years ago
Note: calculate_rate
in previous versions gives wrong results. Please upgrade to the new version.
Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.6.7...v1.6.8
Published by njzjz almost 2 years ago
Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.6.6...v1.6.7
Published by njzjz almost 2 years ago
basepython
by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1760
Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.6.5...v1.6.6
Published by njzjz about 2 years ago
Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.6.4...v1.6.5
Published by njzjz about 2 years ago
Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.6.3...v1.6.4
Published by njzjz about 2 years ago
Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.6.2...v1.6.3
Published by njzjz about 2 years ago
fix some scripts and styles in the web page
Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.6.1...v1.6.2
Published by njzjz about 2 years ago
Fix an error during building wheels.
Published by njzjz about 2 years ago
Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.5.2...v1.6.0