Pinned Repositories
ABIN
Multipurpose ab initio MD program.
adcc
adcc: Seamlessly connect your program to ADC
Apollo-11
Original Apollo 11 Guidance Computer (AGC) source code for the command and lunar modules.
books-mir-mathematics
BspAtom
Program to calculate the quantized energy levels and wave functions of a potential with spherical symmetry. It is based on B-splines and uses LAPACK libraries
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
DeepH-E3
libmsym
molecular point group symmetry lib
tbmd
Tight binding molecular dynamics code to model carbon structures (linear carbon chains, fullerenes, graphene, etc.)
JinRuiAMOPhy's Repositories
JinRuiAMOPhy/adcc
adcc: Seamlessly connect your program to ADC
JinRuiAMOPhy/libmsym
molecular point group symmetry lib
JinRuiAMOPhy/ABIN
Multipurpose ab initio MD program.
JinRuiAMOPhy/Apollo-11
Original Apollo 11 Guidance Computer (AGC) source code for the command and lunar modules.
JinRuiAMOPhy/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.
JinRuiAMOPhy/cp2k
Quantum chemistry and solid state physics software package
JinRuiAMOPhy/DeepH-E3
JinRuiAMOPhy/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.
JinRuiAMOPhy/grasp
General Relativistic Atomic Structure Package
JinRuiAMOPhy/JinRuiAMOPhys.github.io
blog of anything
JinRuiAMOPhy/madness
Multiresolution Adaptive Numerical Environment for Scientific Simulation
JinRuiAMOPhy/mfem
Lightweight, general, scalable C++ library for finite element methods
JinRuiAMOPhy/molpy
Molcas wavefunction assistent
JinRuiAMOPhy/mpopt
A pseudo-spectral collocation based multi-phase Optimal control problem solver
JinRuiAMOPhy/MQDT
multichannel quantum defect theory
JinRuiAMOPhy/OpenMD
Molecular Dynamics in the Open
JinRuiAMOPhy/pDynamo3
The pDynamo molecular modeling and simulation program
JinRuiAMOPhy/PsDNS
Psuedo-spectral direct numerical simulation in Python/MPI
JinRuiAMOPhy/PseudoSpectralPython
A short course in pseudospectral collocation methods for wave equations, with implementations in Python.
JinRuiAMOPhy/pycparser
:snake: Complete C99 parser in pure Python
JinRuiAMOPhy/pyramo
python scripts for AMO physics
JinRuiAMOPhy/pySpawn17
A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations
JinRuiAMOPhy/q-e
Mirror of the Quantum ESPRESSO repository
JinRuiAMOPhy/qcompbasis
Implementation of Quasi-complete basis set for precision solution of relativistic multi-electron atomic problems using GRASP2018
JinRuiAMOPhy/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
JinRuiAMOPhy/R-R-eigen
utilities for Relativistic eigenchannel R-matrix
JinRuiAMOPhy/sharc
The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.
JinRuiAMOPhy/simplie
a simple program for Lie algebras
JinRuiAMOPhy/Smilei
Particle-in-cell code for plasma simulation
JinRuiAMOPhy/vpic
Vector Particle-In-Cell (VPIC) Project