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软件包:mpqc-support(2.3.1-22) [debports]

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Massively Parallel Quantum Chemistry Program (support tools)

MPQC is an ab-inito quantum chemistry program. It is especially designed to compute molecules in a highly parallelized fashion.

This package includes Perl modules to parse the output, Emacs-modes to facilitate editing mpqc files and molrender, a program to output the molecules in OOGL-format.

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alpha (非官方移植版) 572.1 kB16,403.0 kB [文件列表]