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  1. sto-4g-effectivecharge-calculation sto-4g-effectivecharge-calculation Public

    STO-4G基底でSCFループから有効核電荷を求めるPythonプログラム。作成者がプログラム初心者なので非常に汚く見づらい。隙を見て見やすい文章にする予定。

    Python