jsspencer / testcodeLinks
testcode is a python module for testing for regression errors in numerical (principally scientific) software.
☆25Updated 3 years ago
Alternatives and similar repositories for testcode
Users that are interested in testcode are comparing it to the libraries listed below
Sorting:
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- Numerically tolerant end-to-end test library for research software.☆24Updated 5 months ago
- Open source stochastic quantum chemistry☆76Updated 3 weeks ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Updated 2 years ago
- C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆25Updated 2 years ago
- TREX I/O library☆61Updated 2 months ago
- MolSSI Integral Reference Project☆26Updated 4 years ago
- Modular computation tool chain library☆19Updated this week
- Fortran and Python library to predict material interface structures☆20Updated last week
- MultiResolution Chemistry☆36Updated last week
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆45Updated 4 months ago
- High-Performance configuration patterns and recipes.☆45Updated 3 weeks ago
- Library for Green’s function based electronic structure theory calculations☆28Updated 5 months ago
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆65Updated 5 years ago
- optking: A molecular geometry optimization program☆25Updated 2 months ago
- Materials used in a school on QMC methods☆26Updated 6 years ago
- Contains build scripts and instructions for software on a variety of UK HPC resources☆88Updated last month
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆40Updated this week
- Numerical integration grid for molecules.☆50Updated 2 months ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆27Updated last month
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆28Updated 2 months ago
- MultiResolution Computation Program Package☆12Updated last week
- Donostia Natural Orbital Functional Software☆20Updated 2 weeks ago
- Developer repository for the LATTE code☆46Updated last month
- An optimized libcint branch for X86 architecture☆29Updated 2 months ago
- Finite element methods for electronic structure calculations on small systems☆41Updated 2 weeks ago
- ☆21Updated last month
- Open Source Exascale Quantum Chemistry Software☆28Updated last week
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆50Updated 2 years ago
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Updated 8 years ago