murillo-group / sarkas
Sarkas Python MD suite for Dense Plasmas Physics
☆16Updated 10 months ago
Alternatives and similar repositories for sarkas
Users that are interested in sarkas are comparing it to the libraries listed below
Sorting:
- MultiResolution Chemistry☆31Updated last week
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆18Updated 7 months ago
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆22Updated this week
- The Reaction Network Viewer (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifyi…☆22Updated 9 months ago
- Open Source Exascale Computational Chemistry Software☆25Updated 2 weeks ago
- Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford Un…☆31Updated 2 years ago
- Fortnet is a Behler-Parrinello-Neural-Network implementation, written in modern Fortran.☆31Updated 3 months ago
- DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output☆17Updated 3 months ago
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆15Updated last week
- Resources for teaching quantum chemistry courses in Bonn☆37Updated this week
- optking: A molecular geometry optimization program☆23Updated 3 months ago
- Library for Green’s function based electronic structure theory calculations☆23Updated 2 weeks ago
- libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library☆17Updated last year
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- A generic implementation of tensor einsum in Fortran.☆27Updated 4 years ago
- Fast computation of a gaussian and its derivative on a grid.☆30Updated last year
- A generic and fast solver of mode-coupling theory-like integrodifferential equations☆18Updated last month
- Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.☆20Updated 4 years ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆48Updated this week
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆43Updated this week
- Up-scale python functions for high performance computing (HPC)☆31Updated this week
- Density Functional Theory in real space, for atoms, LDA and LSDA☆30Updated last year
- A dissipative particle dynamics (DPD) project.☆11Updated last year
- ☆43Updated last week
- ☆13Updated 3 years ago
- Library for calculating exact ligand cone angles☆13Updated 2 years ago
- Massively parallel hybrid particle-field molecular dynamics in Python.☆27Updated 8 months ago
- Electrochemical reaction rate modeling and nonequilibrium phase maps (via AD)☆22Updated last year
- ☆9Updated this week
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 3 years ago