MRChemSoft / mrcppLinks
MultiResolution Computation Program Package
☆12Updated 3 months ago
Alternatives and similar repositories for mrcpp
Users that are interested in mrcpp are comparing it to the libraries listed below
Sorting:
- MultiResolution Chemistry☆33Updated 2 months ago
- Davidson eigensolver implemented in Fortran☆17Updated 5 years ago
- A generic implementation of tensor einsum in Fortran.☆28Updated 4 years ago
- Automatic code generation of Fast Multipole and Barnes-Hut operators☆19Updated 2 years ago
- Modern Fortran wrappers around MPI routines☆35Updated last year
- Developer repository for the LATTE code☆45Updated 3 months ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆21Updated 3 months ago
- FortranCL: a Fortran 90 interface for OpenCL☆11Updated last year
- Modern Fortran wrappers around ScaLAPACK routines☆18Updated last month
- Library for Green’s function based electronic structure theory calculations☆25Updated last month
- Simple, parallel, object-oriented Fortran neural network☆20Updated 6 years ago
- Material for the workshop at FortranCon 2020☆19Updated 5 years ago
- A fast domain decomposition based implementation of the COSMO solvation model☆15Updated 5 years ago
- Fortran modules with the CODATA fundamental physical constants, generated by a Python script.☆14Updated 2 months ago
- Program for Molecular Fock Dirac calculations☆12Updated 5 years ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- Library for calculating exact ligand cone angles☆13Updated 2 years ago
- Topological Analysis for Molecular Systems☆17Updated 6 years ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆60Updated 2 years ago
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆63Updated 5 years ago
- my own Fortran high level interface for HDF5☆29Updated 5 years ago
- Open Source Exascale Computational Chemistry Software☆25Updated last week
- A kd-tree implementation in Fortran by Matthew B. Kennel☆11Updated 2 weeks ago
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆15Updated last month
- Fortnet is a Behler-Parrinello-Neural-Network implementation, written in modern Fortran.☆31Updated 5 months ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆35Updated last month
- 1D Akima spline interpolation with derivatives☆26Updated 9 years ago
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆43Updated this week
- Tensor Algebra for many-body methods☆17Updated last month
- Modern Fortran command line parser, implemented with OOP.☆23Updated 10 months ago