turbomole

There are 0 repository under turbomole topic.

eljost / td
Parsing and plotting of excited state calculations from Gaussian/Turbomole/ORCA.
quantum-chemistry excited-states orca gaussian turbomole spectra
Language:Python 6
alejandrogallo / sisi4s
Massively parallel electronic structure code for experimentation
ccsd ccsdt coupled-cluster ctf einstein-notation eomcc hartree-fock libint mp2 nwchem quantum-chemistry rpa tensor-algebra turbomole vasp
Language:C++ 4
mushinako / TurboParse
TurboMole output parser
turbomole csulb
Language:Python 2
ngallup / turboclass
A wrapper class being developed to streamline the use of the Turbomole software package on in supercomputing environments
turbomole python chemistry quantum-mechanics computational-chemistry quantum
Language:Python 2
manassharma07 / RIPER-Tools-for-TURBOMOLE
A streamlit web app to help you with setting up DFT calculations for the RIPER module of TURBOMOLE and to analyze the results
density-functional-theory dft gui riper streamlit-web-app turbomole
Language:Python 1

eljost / td