CP2K

Repositories

• cp2k

  Quantum chemistry and solid state physics software package
  Fortran 165 273 64 (1 issue needs help) 8 Updated Dec 3, 2020

• dbcsr

  DBCSR: Distributed Block Compressed Sparse Row matrix library

  hpc mpi cuda matrix-multiplication blas sparse-matrix cp2k
  1 package Fortran GPL-2.0 23 44 43 (1 issue needs help) 8 Updated Dec 3, 2020

• cp2k-ci

  CP2K Continuous Integration
  Python GPL-2.0 2 0 18 0 Updated Dec 2, 2020

• vim-cp2k
  Vim script 0 4 1 0 Updated Nov 20, 2020

• cp2k-output-tools

  Python tools to handle CP2K output files

  python cp2k
  Python 1 2 0 0 Updated Nov 17, 2020

• cp2k-input-tools

  Fully validating pure-python CP2K input file tools including preprocessing capabilities

  python parser cp2k
  Python MIT 2 6 1 0 Updated Nov 17, 2020

• libni

  Numerical integration of common QM integrals
  Fortran MIT 1 1 5 1 Updated Jun 17, 2020

• libint-cp2k
  Dockerfile 0 1 0 0 Updated Apr 1, 2020

• cp2k-toolchain

  CP2K Toolchain Scripts based on Spack

  spack cp2k toolchain-script
  Python MIT 0 2 0 0 Updated Dec 3, 2019

• cp2k-data
  Fortran 1 0 0 0 Updated Nov 8, 2019

• dbcsr-data

  Training data to predict optimal Cuda kernel parameters
  0 0 0 0 Updated Jan 21, 2019

• cp2k-svn

  ABANDONED Git mirror of the old SVN repository at Sourceforge. Check link for more info!
  Fortran 39 54 0 0 Updated Sep 30, 2018