GitHub topics: gaussian16
polyluxus/tools-for-g16.bash
A collection of tools for the help with Gaussian 16.
Language: Shell - Size: 5.02 MB - Last synced at: 15 days ago - Pushed at: over 5 years ago - Stars: 30 - Forks: 8
aspuru-guzik-group/xtb-gaussian
A wrapper to run xtb inside Gaussian.
Language: Perl - Size: 3.91 KB - Last synced at: 25 days ago - Pushed at: over 4 years ago - Stars: 20 - Forks: 8
HideyoshiNakazone/CrystalPol
Python Program for Charge Polarization of Crystals Using Gaussian16
Language: Python - Size: 123 KB - Last synced at: 29 days ago - Pushed at: 10 months ago - Stars: 2 - Forks: 0
HideyoshiNakazone/DicePlayer
Python Program for Molecular Optimization in Non-Vacuum Mediums
Language: Python - Size: 396 KB - Last synced at: 2 months ago - Pushed at: 10 months ago - Stars: 2 - Forks: 0
WMCSameeraGroup/pyqmmm
Python interface for subtractive QM/MM calculations with AMOEBA polarizable force field using Gaussian16 and Tinker.
Language: Python - Size: 201 KB - Last synced at: 12 months ago - Pushed at: 12 months ago - Stars: 4 - Forks: 2
CTM-ITODYS/ircbyhand
Fortran script for IRC using Freq calculation provide by Gaussian16
Language: Fortran - Size: 528 KB - Last synced at: 9 months ago - Pushed at: over 2 years ago - Stars: 1 - Forks: 0
Sumner-Group/Gaussian-External-CFOUR
Script to couple CFOUR with Gaussian via the "External" keyword
Language: Shell - Size: 4.88 KB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0
tomaszborowski/prm2gaussian
python3 script converting Amber prmtop and prmcrd files into Gaussian input file
Language: DIGITAL Command Language - Size: 2.39 MB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 1 - Forks: 1
