abinitio

There are 7 repositories under abinitio topic.

Open-Quantum-Platform/openqp
The main repository of Open Quantum Platform (OpenQP)
Language:Fortran29 3 112
AbinitioDGA/ADGA
Abinitio Dynamical Vertex Approximation
Language:Fortran14 4 01
tilde-lab/pycrystal
Utilities for ab initio modeling suite CRYSTAL, developed in Turin University
Language:Python11 2 111
alejandrogallo/wavecar.hpp
A c++ library for reading and manipulating WAVECAR files from VASP
Language:C++6 3 01
rdenadai/ReviewProteinStructurePrediction
Protein Structure Prediction is another biggest challenge that mankind is looking to solve. If solved or at least partially solved it could revolutionize medicine and drug industry.
1 1 0
MilaimKas/ECW_CC
Experimentally constrained wave function approach within the coupled cluster formalism
Language:Python0 1 10
avidLearnerInProgress/avro_to_abi
Converts avro dml to abinitio specific dml
Language:Python2 01