NWChemEx / PluginPlayLinks
An inversion-of-control framework for developing modular scientific software.
☆12Updated this week
Alternatives and similar repositories for PluginPlay
Users that are interested in PluginPlay are comparing it to the libraries listed below
Sorting:
- Tensor Algebra for many-body methods☆19Updated 2 months ago
- Open Source Exascale Computational Chemistry Software☆27Updated last week
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆21Updated 2 weeks ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- Library for Green’s function based electronic structure theory calculations☆26Updated 2 months ago
- MultiResolution Computation Program Package☆12Updated 4 months ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆36Updated 2 weeks ago
- A modern C++ library for high-performance configuration interaction methods☆16Updated last month
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆15Updated this week
- Library for local orbital scaling correction (LOSC).☆16Updated last year
- MultiResolution Chemistry☆34Updated 3 months ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆49Updated this week
- Automatic code generation of Fast Multipole and Barnes-Hut operators☆18Updated 2 years ago
- Developer repository for the LATTE code☆46Updated 4 months 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
- C++17 Wrapper for ScaLAPACK☆11Updated last year
- This is a mirror. Please check our main website on gitlab.☆29Updated this week
- A C++ linear algebra algebra focusing on tensor tree classes designed for quantum dynamics simulations and machine learning applications☆18Updated last year
- A fast domain decomposition based implementation of the COSMO solvation model☆15Updated 5 years ago
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆25Updated this week
- A poor man's density functional theory program☆13Updated 9 months ago
- The EXP-T program package is designed for high-precision modeling of molecular electronic structure using the relativistic Fock space mul…☆17Updated 2 months ago
- A top-level, user-focused, conglomerate repo for the NWChemEx project.☆13Updated this week
- optking: A molecular geometry optimization program☆23Updated last week
- Molecular dynamics proxy application based on Cabana☆21Updated 5 months ago
- Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, mole…☆45Updated last year
- Modular computation tool chain library☆19Updated 2 weeks ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated last month
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆60Updated 2 years ago
- Repo for a DOE HPC workflow training event☆13Updated 2 years ago