JinRuiAMOPhy's repositories
ABIN
Multipurpose ab initio MD program.
Apollo-11
Original Apollo 11 Guidance Computer (AGC) source code for the command and lunar modules.
champ
The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations of atomic and molecular systems.
cp2k
Quantum chemistry and solid state physics software package
feasst
The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with flat-histogram Monte Carlo methods.
grasp
General Relativistic Atomic Structure Package
JinRuiAMOPhys.github.io
blog of anything
madness
Multiresolution Adaptive Numerical Environment for Scientific Simulation
mfem
Lightweight, general, scalable C++ library for finite element methods
molpy
Molcas wavefunction assistent
mpopt
A pseudo-spectral collocation based multi-phase Optimal control problem solver
OpenMD
Molecular Dynamics in the Open
pDynamo3
The pDynamo molecular modeling and simulation program
PsDNS
Psuedo-spectral direct numerical simulation in Python/MPI
PseudoSpectralPython
A short course in pseudospectral collocation methods for wave equations, with implementations in Python.
pycparser
:snake: Complete C99 parser in pure Python
pySpawn17
A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations
q-e
Mirror of the Quantum ESPRESSO repository
qcompbasis
Implementation of Quasi-complete basis set for precision solution of relativistic multi-electron atomic problems using GRASP2018
qmcpack
Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support
sharc
The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.
simplie
a simple program for Lie algebras
Smilei
Particle-in-cell code for plasma simulation
vpic
Vector Particle-In-Cell (VPIC) Project