jeffhammond / nwchem-git-svn-deprecatedLinks
This is obsolete. Use this:
☆21Updated 9 years ago
Alternatives and similar repositories for nwchem-git-svn-deprecated
Users that are interested in nwchem-git-svn-deprecated are comparing it to the libraries listed below
Sorting:
- C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆24Updated 2 years ago
- Python framework for generating and validating pseudo potentials☆45Updated last year
- Quantum Chemistry Laboratory package☆20Updated 3 years ago
- MolSSI Integral Reference Project☆25Updated 4 years ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated last month
- A top-level, user-focused, conglomerate repo for the NWChemEx project.☆14Updated 3 weeks ago
- Brilliantly Advanced General Electronic-structure Library☆113Updated 5 months ago
- An API for the Polarizable Continuum Model☆35Updated 2 years ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- The mainline development distribution for QWalk☆35Updated 5 years ago
- for Quantum Crystallography☆26Updated this week
- Databases and Interoperability in Quantum Chemistry☆13Updated 7 years ago
- Molecular frequency-dependent response properties for arbitrary operators☆11Updated last week
- An optimized libcint branch for X86 architecture☆29Updated 2 weeks ago
- Donostia Natural Orbital Functional Software☆20Updated this week
- TREX I/O library☆58Updated 2 weeks ago
- Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor …☆28Updated last year
- Set of quantum chemistry programs and libraries☆44Updated 4 years ago
- ERKALE -- HF/DFT from Hel☆51Updated 2 months ago
- High-Performance configuration patterns and recipes.☆45Updated last week
- Reusable DFT Grids for the Masses☆16Updated last year
- Open source stochastic quantum chemistry☆76Updated last month
- Molcas wavefunction assistent☆13Updated 4 years ago
- A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)☆11Updated last year
- Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.☆155Updated last year
- Developer repository for the LATTE code☆46Updated 4 months ago
- Open Computational Chemistry in C++☆20Updated last week
- Gauge-including magnetically induced currents.☆28Updated last year
- Numerical integration grid for molecules.☆50Updated last week
- Many-body dispersion library☆56Updated 11 months ago