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dcaspt2_input_generator
GUI tool for supporting the generation of input files for DIRAC_CASPT2 calculation.
https://pypi.org/project/dcaspt2-input-generator/
Apache License 2.0
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Resolved an issue that appeared to hang during sum_dirac_dfcoef execution using QProcess
#23
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kohei-noda-qcrg
closed
9 months ago
kohei-noda-qcrg
commented
9 months ago
容量の大きいDIRACのアウトプットを使用するとsum_dirac_dfcoef実行中にユーザの操作を受け付けなくなる問題を解決
QProcessを使って別プロセスでsum_dirac_dfcoefを処理させることにより解決した