gamess

There are 11 repositories under gamess topic.

lvpp/sigma
LVPP sigma-profile database + COSMO-SAC parametrizations
Language:Python58 11 2428
RyokoKuga/GAMARSS
GAMARSS is data extraction software for GAMESS(US) and Firefly.
Language:Python3 1 01
caraortizmah/BindingInteraction
Language:Shell2 1 03
MBI-Theory/superdyson
Property evaluation for general CI expansions
Language:Fortran2 1 10
polyluxus/tools-for-gamess.bash
Scripts to help with the execution of GAMESS
Language:Shell2 1 00
Cipulot/GAMESS-Interface
Very simple but yet effective GUI to use in combination with the GAMESS, general quantum chemistry package.
Language:C#1 2 02
schneiderfelipe/jiujitsu
Easily submit job inputs to different clusters.
Language:Shell1 1 2
RyokoKuga/Gnebit
Support software for Nudged Elastic Band (NEB) Methods of GAMESS (US).
Language:Python0 1 01
toshinagata/Molby
An Interactive Molecular Modeling Software with Integrated Ruby Interpreter
Language:C0 1 00
cbell/WebMO
2 1
DrSnowbird/docker-hpc-gamess-ubuntu
docker-hpc-gamess-ubuntu
Language:Shell3 0