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gamess
Here are 11 public repositories matching this topic...
GAMARSS is data extraction software for GAMESS(US) and Firefly.
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May 27, 2021 - Python
Scripts to help with the execution of GAMESS
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Sep 9, 2019 - Shell
Property evaluation for general CI expansions
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Sep 24, 2024 - Fortran
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May 13, 2021 - Shell
Very simple but yet effective GUI to use in combination with the GAMESS, general quantum chemistry package.
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Jul 29, 2020 - C#
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Oct 9, 2020
Easily submit job inputs to different clusters.
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Jul 22, 2019 - Shell
Support software for Nudged Elastic Band (NEB) Methods of GAMESS (US).
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May 24, 2021 - Python
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