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Ronald Cohen's Projects

cp2k icon cp2k

Quantum chemistry and solid state physics software package

fgsl icon fgsl

Fortran interface to the GNU Scientific Library

fox icon fox

A Fortran XML library

lammps icon lammps

Public development project of the LAMMPS MD software package

likwid icon likwid

Performance monitoring and benchmarking suite

md-structure-factor icon md-structure-factor

Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories

mdanalysis icon mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

openbabel icon openbabel

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

p4vasp icon p4vasp

p4vasp, the VASP Visualization Tool

pbctools icon pbctools

Development version of the pbctools plugin for VMD.

phq icon phq

phq: a Fortran code to compute phonon quasiparticle properties and dispersions

physics icon physics

Collection of codes and scripts resulting from my PhD in physics (2007-2013)

pmda icon pmda

Parallel algorithms for MDAnalysis

pyprocar icon pyprocar

A Python library for electronic structure pre/post-processing

qmcpack icon qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.

quantum_esperanto icon quantum_esperanto

Very fast XML parser for DFT outputs produced with the VASP, Vienna Ab initio Simulation Package

vasp_xdatcar icon vasp_xdatcar

A python class for parsing VASP XDATCAR from molecular dynamics

xtalopt icon xtalopt

Official public repository for the XtalOpt crystallographic evolutionary algorithm

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