gcmc

There are 0 repository under gcmc topic.

• essex-lab / grand

  A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.

  gcmcmolecular-dynamicsmonte-carloopenmmpythonwaterwater-molecules
  Language:Python 56

• lipelopesoliveira / ForceFields

  A repository to hold forcefields for molecular mechanics calculations with RASPA

  force-fieldsgcmcnanoporous-materials
  Language:Makefile 9

• Quantum-Accelerators / raspa_ase

  ASE calculator for RASPA2

  asegcmcmolecular-simulationsraspa
  Language:Python 8

• kjappelbaum / water_isotherm_workchains

  AiiDA workchains for (water) adsorption isotherms

  aiidagcmcmaterials-sciencemdmonte-carlo-simulationraspazeopp
  Language:Python 4