Alternatives and similar repositories for chem_react_dyn:

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

• lanl / qmd-progress
  PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
  ☆22Updated this week
• 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…
  ☆31Updated 2 years ago
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated 2 years ago
• atomic-solvers / featom
  Finite Element Solvers for Atomic Structure Calculations
  ☆12Updated last year
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆31Updated this week
• pseewald / fortran-einsum-example
  A generic implementation of tensor einsum in Fortran.
  ☆27Updated 4 years ago
• certik / hfsolver
  Hartree Fock solver
  ☆26Updated 7 years ago
• rpep / fmmgen
  Automatic code generation of Fast Multipole and Barnes-Hut operators
  ☆19Updated 2 years ago
• dftbplus / dftd3-lib
  Library version of S. Grimmes DFTD3 code.
  ☆11Updated 2 years ago
• nomad-coe / greenX
  Library for Green’s function based electronic structure theory calculations
  ☆23Updated last week
• chemreac / chemreac
  Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.
  ☆14Updated 2 years ago
• stefabat / MolecularIntegrals
  A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals
  ☆10Updated 3 years ago
• BattModels / ElectrochemicalKinetics.jl
  Electrochemical reaction rate modeling and nonequilibrium phase maps (via AD)
  ☆22Updated last year
• NWChemEx / TAMM
  Tensor Algebra for many-body methods
  ☆14Updated last week
• sigvebs / MCTDHF
  Program for simulating time evolution in quantum systems using the MCTDHF method.
  ☆16Updated 7 years ago
• grimme-lab / qc2-teaching
  Resources for teaching quantum chemistry courses in Bonn
  ☆37Updated 3 weeks ago
• MineralsCloud / EquationsOfStateOfSolids.jl
  A Julia package for fitting the equation of state of solids, and more
  ☆14Updated 5 months ago
• JuliaMolSim / ASE.jl
  Julia Bindings for Atomic Simulation Environment
  ☆37Updated 4 years ago
• LLNL / inq
  This is a mirror. Please check our main website on gitlab.
  ☆29Updated this week
• pernalk / GAMMCOR
  gammcor code
  ☆10Updated 2 months ago
• champsproject / lagrangian_descriptors
  Repo to host book about Lagrangian Descriptors technique
  ☆15Updated last year
• mfherbst / 2022-rwth-julia-workshop
  Material for the RWTH Julia workshop on 17th and 18th February 2022
  ☆22Updated 2 years ago
• digital-chemistry-laboratory / libdlfind
  libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library
  ☆17Updated last year
• JuliaMatSci / LearnHartreeFock.jl
  Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.
  ☆20Updated 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 9 months ago
• mfherbst / juliacon_dft_workshop
  A mathematical look on density-functional theory and DFTK
  ☆34Updated 3 years ago
• susilehtola / HelFEM
  Finite element methods for electronic structure calculations on small systems
  ☆37Updated 2 weeks ago
• molsturm / molsturm
  A modular electronic structure theory code
  ☆21Updated 6 years ago
• Santiso-Group / despasito
  DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output
  ☆16Updated 3 months ago
• ben-albrecht / qcl
  Quantum Chemistry Laboratory package
  ☆20Updated 2 years ago