Alternatives and similar repositories for chem_react_dyn

Users that are interested in chem_react_dyn are comparing it to the libraries listed below

• certik / hfsolver
  Hartree Fock solver
  ☆26Updated 7 years ago
• lanl / qmd-progress
  PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
  ☆25Updated last week
• champsproject / lagrangian_descriptors
  Repo to host book about Lagrangian Descriptors technique
  ☆16Updated 2 years ago
• atomic-solvers / featom
  Finite Element Solvers for Atomic Structure Calculations
  ☆12Updated last year
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated 2 years ago
• nomad-coe / greenX
  Library for Green’s function based electronic structure theory calculations
  ☆25Updated last month
• chemreac / chemreac
  Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.
  ☆14Updated 2 years ago
• SM-at-THU / StatisticalMechanics
  This is a collection of answers to a SM book written by R. K. Pathria & Paul D. Beale. Lecture notes can be added too.
  ☆36Updated 6 years ago
• rpep / fmmgen
  Automatic code generation of Fast Multipole and Barnes-Hut operators
  ☆19Updated 2 years ago
• junghans / mdlj
  Simple microcanonical Molecular Dynamics simulation of a Lennard-Jones fluid in a periodic boundary
  ☆10Updated 7 years ago
• aamaricci / DMFTtools
  A collection of fortran modules and routines to support quantum many-body calculations, with a strong focus on Dynamical Mean-Field Theor…
  ☆16Updated last week
• marekandreas / elpa
  A scalable eigensolver for dense, symmetric (hermitian) matrices (fork of https://gitlab.mpcdf.mpg.de/elpa/elpa.git)
  ☆32Updated last week
• pseewald / fortran-einsum-example
  A generic implementation of tensor einsum in Fortran.
  ☆28Updated 4 years ago
• VlachosGroup / renview
  The Reaction Network Viewer (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifyi…
  ☆22Updated 11 months ago
• BattModels / ElectrochemicalKinetics.jl
  Electrochemical reaction rate modeling and nonequilibrium phase maps (via AD)
  ☆23Updated 2 years ago
• ReactionMechanismGenerator / ReactionMechanismSimulator.jl
  The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
  ☆80Updated last week
• certik / dftatom
  Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations
  ☆80Updated 6 months ago
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆33Updated 2 months ago
• wmfschneider / CBE60547
  Computational Chemistry
  ☆19Updated 5 years ago
• Allen-Tildesley / corrections
  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
• susilehtola / HelFEM
  Finite element methods for electronic structure calculations on small systems
  ☆39Updated 3 weeks ago
• TRIQS / nda
  C++ library for multi-dimensional arrays. Supported by the Flatiron Institute.
  ☆22Updated last week
• JuliaMolSim / MolSim
  Registry for Molecular Simulation Packages
  ☆11Updated 2 years ago
• mfherbst / course_julia_day
  Notes for getting to know the Julia programming language in one day.
  ☆38Updated 3 years ago
• MarcvdSluys / Fortran-intro
  A short introduction to modern Fortran
  ☆13Updated last year
• wavefunction91 / scalapackpp
  C++17 Wrapper for ScaLAPACK
  ☆11Updated last year
• saullocastro / cubature
  Python wrapper for the Cubature algorithm explained in: http://ab-initio.mit.edu/wiki/index.php/Cubature
  ☆40Updated 3 weeks ago
• digital-chemistry-laboratory / libdlfind
  libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library
  ☆17Updated last year
• vanderhe / fortnet
  Fortnet is a Behler-Parrinello-Neural-Network implementation, written in modern Fortran.
  ☆31Updated 5 months ago
• EDRIXS / edrixs
  An open source toolkit for simulating RIXS spectra based on ED
  ☆35Updated last month