Alternatives and similar repositories for mrcpp

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

• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆33Updated 3 weeks ago
• dftbplus / mpifx
  Modern Fortran wrappers around MPI routines
  ☆34Updated 11 months ago
• nomad-coe / greenX
  Library for Green’s function based electronic structure theory calculations
  ☆23Updated 2 weeks ago
• pseewald / fortran-einsum-example
  A generic implementation of tensor einsum in Fortran.
  ☆27Updated 4 years ago
• libnegf / libnegf
  ☆19Updated 3 weeks ago
• NLESC-JCER / Fortran_Davidson
  Davidson eigensolver implemented in Fortran
  ☆16Updated 5 years ago
• rpep / fmmgen
  Automatic code generation of Fast Multipole and Barnes-Hut operators
  ☆19Updated 2 years ago
• anjohan / neuralnetwork
  Simple, parallel, object-oriented Fortran neural network
  ☆20Updated 6 years ago
• fortuno-repos / fortuno
  Flexible & extensible object oriented Fortran unit testing framework for serial, MPI-parallel and coarray-parallel projects
  ☆25Updated 2 months ago
• dftbplus / scalapackfx
  Modern Fortran wrappers around ScaLAPACK routines
  ☆18Updated last week
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated 2 years ago
• ebylaska / PWDFT
  Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software
  ☆15Updated this week
• wavefunction91 / ExchCXX
  Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
  ☆21Updated 2 months ago
• YifanShenSZ / Fortran-Library
  Mathematical & chemical routines e.g. nonlinear optimization etc. with c++ & python frontend
  ☆11Updated 3 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, …
  ☆34Updated 2 weeks ago
• filippolipparini / ddPCM
  A fast domain decomposition based implementation of the COSMO solvation model
  ☆15Updated 4 years ago
• vanderhe / fortnet
  Fortnet is a Behler-Parrinello-Neural-Network implementation, written in modern Fortran.
  ☆31Updated 4 months ago
• NWChemEx / TAMM
  Tensor Algebra for many-body methods
  ☆17Updated last week
• jterwin / HDF5_utils
  my own Fortran high level interface for HDF5
  ☆29Updated 5 years ago
• fortuno-repos / cookiecutter-fortran-project
  Cookiecutter templates for creating modern Fortran projects that are ready to build, run, test, and install
  ☆18Updated 6 months ago
• vmagnin / fundamental_constants
  Fortran modules with the CODATA fundamental physical constants, generated by a Python script.
  ☆14Updated last month
• fortran-lang / stdlib-cmake-example
  Integration of the Fortran standard library in CMake projects
  ☆15Updated 3 years ago
• LLNL / TopoMS
  Topological Analysis for Molecular Systems
  ☆17Updated 6 years ago
• ExaChem / exachem
  Open Source Exascale Computational Chemistry Software
  ☆25Updated last month
• wavefunction91 / MACIS
  A modern C++ library for high-performance configuration interaction methods
  ☆16Updated 2 months ago
• lanl / LATTE
  Developer repository for the LATTE code
  ☆43Updated last month
• jalvesz / fast_math
  A fortran library of fast functions
  ☆30Updated 3 months ago
• f-fathurrahman / ffr-PWDFT
  A poor man's density functional theory program
  ☆13Updated 7 months ago
• aradi / fortuno.old
  User friendly, flexible and extensible object-oriented Fortran unit testing framework for testing serial, MPI-parallelized and coarray-pa…
  ☆24Updated last year
• SINTEF / fortran-error-handling
  A library for flexible and easy to use error handling in Fortran projects
  ☆19Updated last year