Arch Linux PKGBUILD file for ORCA quantum mechanics software package
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Updated
Feb 15, 2022 - Shell
Arch Linux PKGBUILD file for ORCA quantum mechanics software package
Provides a collection of quantum chemistry utility scripts.
Script to help start and use ORCA quantum chemistry software
MIRROR of https://gitlab.cc4s.org/cc4s/test-resources GO THERE FOR CONTRIBUTIONS
Gaussian software job automation. But can be modified for other computational softwares also.
Public version of GMCALC: software to make easy working with Gaussian and MOPAC
This repo is a relativistic quantum chemistory programs setup script.
Automated compilation of NWChem on RHEL, CentOS, and Ubuntu.
Arch Linux PKGBUILD file for ORCA quantum mechanics software package
xyz animation to molden.input
Automatic geometric optimization
Набор баш-скриптов для исследования механизмов реакций в Природе
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