Dcaspt2-input-generator

Changes

- Release dcaspt2\_input\_generator 0.3.0 github-actions (38)
- Settings handling kohei-noda-qcrg (36)

🚀 Features

- Add DIRAC version input and delete DIRAC version checkbox kohei-noda-qcrg (35)

Changes

- Release dcaspt2\_input\_generator 0.2.1 github-actions (34)
- Remove submodule summarize\_dirac\_dfcoef\_coefficients kohei-noda-qcrg (31)

🐛 Bug Fixes

- Fix multi process kohei-noda-qcrg (33)

Changes

- Release dcaspt2\_input\_generator 0.2.0 github-actions (30)
- Update pyproject.toml kohei-noda-qcrg (28)

🚀 Features

- Multi process input sum dirac dfcoef kohei-noda-qcrg (29)

Changes

- Release dcaspt2\_input\_generator 0.1.0 github-actions (27)

🚀 Features

- Create standard IVO input kohei-noda-qcrg (25)

🐛 Bug Fixes

- Prepared for v0.0.4 (bugfix and refactor) kohei-noda-qcrg (26)

Changes

- Release dcaspt2\_input\_generator 0.0.3 github-actions (24)

🚀 Features

- Resolved an issue that appeared to hang during sum\_dirac\_dfcoef execution using QProcess kohei-noda-qcrg (23)

Changes

- Release dcaspt2\_input\_generator 0.0.2 github-actions (22)
- Update the usage description minoria-hiroshima (https://github.com/RQC-HU/dcaspt2_input_generator/commit/ed0db723386a6a071b3027f1f80875122c119ff3)
🐛 Bug Fixes

- Don't set table\_data.header\_info.moltra\_info value to False for orbitals outside the MOLTRA range. kohei-noda-qcrg (21)