Script to help start and use ORCA quantum chemistry software
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Updated
Feb 25, 2020 - Shell
Script to help start and use ORCA quantum chemistry software
Creating and submitting ORCA input; processing ORCA output.
Arch Linux PKGBUILD file for ORCA quantum mechanics software package
🐰 Simple basis set parser for the ORCA quantum chemistry package
Automatic geometric optimization
This article provides information to allow users to determine the energy required or released when a metal coordinates with a ligand/organic molecule
xyz animation to molden.input
Easily submit job inputs to different clusters.
This article has been written to help chemists to run mechanistic studies in ORCA
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