Alternatives and similar repositories for mrcpp:

Users that are interested in mrcpp are comparing it to the libraries listed below

• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆31Updated last month
• pseewald / fortran-einsum-example
  A generic implementation of tensor einsum in Fortran.
  ☆26Updated 4 years ago
• nomad-coe / greenX
  Library for Green’s function based electronic structure theory calculations
  ☆23Updated this week
• rpep / fmmgen
  Automatic code generation of Fast Multipole and Barnes-Hut operators
  ☆19Updated 2 years ago
• dftbplus / mpifx
  Modern Fortran wrappers around MPI routines
  ☆34Updated 8 months ago
• NLESC-JCER / Fortran_Davidson
  Davidson eigensolver implemented in Fortran
  ☆16Updated 5 years ago
• wavefunction91 / GauXC
  GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …
  ☆30Updated 5 months ago
• anjohan / neuralnetwork
  Simple, parallel, object-oriented Fortran neural network
  ☆20Updated 6 years ago
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated last year
• LLNL / TopoMS
  Topological Analysis for Molecular Systems
  ☆17Updated 6 years ago
• filippolipparini / ddPCM
  A fast domain decomposition based implementation of the COSMO solvation model
  ☆15Updated 4 years ago
• fortuno-repos / fortuno
  Flexible & extensible object oriented Fortran unit testing framework for serial, MPI-parallel and coarray-parallel projects
  ☆22Updated this week
• wavefunction91 / ExchCXX
  Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
  ☆19Updated last month
• ebylaska / PWDFT
  Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software
  ☆15Updated this week
• lanl / LATTE
  Developer repository for the LATTE code
  ☆40Updated last month
• dftbplus / scalapackfx
  Modern Fortran wrappers around ScaLAPACK routines
  ☆18Updated 6 months ago
• fortran-lang / stdlib-cmake-example
  Integration of the Fortran standard library in CMake projects
  ☆14Updated 3 years ago
• libnegf / libnegf
  ☆19Updated 2 weeks ago
• wavefunction91 / MACIS
  A modern C++ library for high-performance configuration interaction methods
  ☆16Updated this week
• vanderhe / fortnet
  Fortnet is a Behler-Parrinello-Neural-Network implementation, written in modern Fortran.
  ☆31Updated last month
• grimme-lab / qc2-teaching
  Resources for teaching quantum chemistry courses in Bonn
  ☆36Updated 8 months ago
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆41Updated 3 months ago
• ECP-copa / CabanaMD
  Molecular dynamics proxy application based on Cabana
  ☆20Updated 2 weeks ago
• ExaChem / exachem
  Open Source Exascale Computational Chemistry Software
  ☆25Updated last month
• scafacos / scafacos
  ScaFaCoS library for Fast Coulomb Solvers
  ☆29Updated 2 weeks ago
• vmagnin / fundamental_constants
  Fortran modules with the CODATA fundamental physical constants, generated by a Python script.
  ☆14Updated 9 months ago
• jalvesz / fast_math
  A fortran library of fast functions
  ☆30Updated last month
• benlabs / sassena
  Sassena — X-ray and neutron scattering calculated from molecular dynamics trajectories using massively parallel computers
  ☆15Updated 8 years ago
• fortrancon / workshop2020
  Material for the workshop at FortranCon 2020
  ☆19Updated 4 years ago
• xavierandrade / fortrancl
  FortranCL: a Fortran 90 interface for OpenCL
  ☆11Updated 8 months ago