hsidky / SAPHRONLinks
A lightweight C++11 Monte Carlo molecular simulation engine
☆9Updated 8 years ago
Alternatives and similar repositories for SAPHRON
Users that are interested in SAPHRON are comparing it to the libraries listed below
Sorting:
- Quantum Chemistry Laboratory package☆20Updated 3 years ago
- A Framework for Metropolis Monte Carlo Simulation of Molecular Systems☆73Updated last month
- Set of quantum chemistry programs and libraries☆44Updated 4 years ago
- An API for the Polarizable Continuum Model☆34Updated 2 years ago
- MolSSI Integral Reference Project☆25Updated 4 years ago
- optking: A molecular geometry optimization program☆23Updated this week
- Coarse-graining potentials from atomistic references made easy☆26Updated 3 years ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- ERKALE -- HF/DFT from Hel☆51Updated 2 months ago
- Molecular Dynamics in the Open☆83Updated last week
- Symbiotic computational chemistry; Public repository.☆20Updated 7 years ago
- The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time i…☆72Updated 2 years ago
- Databases and Interoperability in Quantum Chemistry☆13Updated 7 years ago
- The new generation molecular viewer for IPython notebook☆82Updated 5 years ago
- Numerical integration grid for molecules.☆50Updated 9 months ago
- Open source stochastic quantum chemistry☆76Updated 3 weeks ago
- C++ toolkit for use in reading in and analyzing Gromacs files☆11Updated 4 years ago
- Software Suite for Advanced General Ensemble Simulations☆88Updated 2 years ago
- Sample code from Allen & Tildesley's Computer Simulation of Liquids, 1st Ed. See https://github.com/Allen-Tildesley/examples for moderni…☆17Updated 7 years ago
- Modular computation tool chain library☆19Updated last week
- A simple cube file viewer based on pythreejs☆24Updated last year
- Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford Un…☆32Updated 2 years ago
- The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…☆41Updated this week
- A fast domain decomposition based implementation of the COSMO solvation model☆15Updated 5 years ago
- Geometrical Counter-Poise Correction☆11Updated 8 months ago
- Finite element methods for electronic structure calculations on small systems☆40Updated last month
- C++ implementation of the smooth Particle-Mesh Ewald algorithm for dispersive forces. Moved to https://git.sr.ht/~jmbr/libpme6☆18Updated 7 years ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆60Updated 2 years ago
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆98Updated 6 months ago
- Tools for ThermoML parsing☆21Updated 3 years ago