Topic: hartree-fock Goto Github
Some thing interesting about hartree-fock
Some thing interesting about hartree-fock
hartree-fock,Massively parallel electronic structure code for experimentation
User: alejandrogallo
Home Page: https://alejandrogallo.github.io/sisi4s
hartree-fock,A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals
User: aromanro
Home Page: https://compphys.go.ro/the-hartree-fock-program/
hartree-fock,Some python workbooks with various topics from Computational Physics
User: aromanro
hartree-fock,Finite Element Solvers for Atomic Structure Calculations
Organization: atomic-solvers
Home Page: https://atomic-solvers.github.io/featom/
hartree-fock,MQM2019 Poster
User: bangconghuynh
hartree-fock,Generation of all possible electron-electron interaction Green's function corrections, and reduction into irreducible Feynman diagrams
User: big-e-green
hartree-fock,Generation of all possible electron-phonon interaction Green's function corrections, and reduction into irreducible Feynman diagrams
User: big-e-green
hartree-fock,Hartree Fock solver
User: certik
hartree-fock,The Atomic Structure Package (ATSP) - book code version
Organization: compas
hartree-fock,General Relativistic Atomic Structure Package
Organization: compas
Home Page: https://compas.github.io/grasp/
hartree-fock,Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)
Organization: diffqc
Home Page: https://dqc.readthedocs.io/
hartree-fock,
User: erikkjellgren
hartree-fock,contains a package in Haskell to calculate the electronic structure properties of molecules using the Hartree-Fock method
User: felipez
hartree-fock,Fermi quantum chemistry program
Organization: fermiqc
hartree-fock,Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure problems.
User: frankwswang
Home Page: https://frankwswang.github.io/Quiqbox.jl/stable
hartree-fock,Hartree-Fock C++ code
User: ifilot
hartree-fock,Python package for evaluating integrals of Gaussian type orbitals in electronic structure calculations
User: ifilot
Home Page: https://pyqint.imc-tue.nl
hartree-fock,Restricted Hartree Fock in rust
User: iggedi-ig-ig
hartree-fock,🎉 Simple restricted Hartree-Fock code in Python
User: ipudu
hartree-fock,Electronic structure code based on gaussian basis sets. The code can perform apart from HF, DFT, RDMFT and some tastes of Optimized Effective Potential Theory.
User: iris-theof
hartree-fock,Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2
User: jarvist
hartree-fock,do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
User: jjgoings
hartree-fock,Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.
Organization: juliamatsci
hartree-fock,Hartree-Fock-Bogoliubov solver for a generic interacting fermion Hamiltonian
User: kyungminlee
hartree-fock,C++ and Python library for Polarizable Embedding
User: maxscheurer
hartree-fock,QUICK: A GPU-enabled ab intio quantum chemistry software package
User: merzlab
hartree-fock,LaTeX code for my PhD thesis in electronic structure theory
User: mfherbst
Home Page: https://michael-herbst.com/phd-thesis.html
hartree-fock,A lightweight ab initio molecular dynamics simulation program
Organization: microsoft
hartree-fock,Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
Organization: molgw
Home Page: http://www.molgw.org
hartree-fock,A modular electronic structure theory code
Organization: molsturm
Home Page: https://molsturm.org
hartree-fock, A complete Hartree-Fock framework employing Gaussian basis functions written from scratch in C++.
User: mortele
hartree-fock,Source code for Automatic Differentiation for the Direct Minimization Approach to the Hartree-Fock Method
User: n-yoshikawa
hartree-fock,NWChem: Open Source High-Performance Computational Chemistry
User: nwchemgit
Home Page: http://nwchemgit.github.io
hartree-fock,A library for 1-dimensional density functional theory (DFT) calculations and analysis.
User: pedersor
hartree-fock,QuAcK: a software for emerging quantum electronic structure methods
User: pfloos
hartree-fock,Hartree-Fock and density-functional courses of the 2022 TCCM winter school LTTC
User: pfloos
hartree-fock,Canonical (Kohn-Sham) molecular orbital calculation software for large molecules such as protein
Organization: proteindf
hartree-fock,Hartree-Fock Python
User: pwborthwick
hartree-fock,grown-up version of harpy
User: pwborthwick
hartree-fock,Introduction to Quantum Mechanics for Chemists
Organization: qc-edu
Home Page: https://qchem.qc-edu.org/main_content.html
hartree-fock,Utility for the perturbation of molecular orbitals delivered by standard quantum chemical packages
Organization: reihergroup
Home Page: http://www.reiher.ethz.ch/software/orbital-perturbation.html
hartree-fock,Solution of Hartree-Fock equations within Pople's STO-3G basis set
User: rmeli
hartree-fock,Two-Dimensional Finite Difference Hartree-Fock Program
User: susilehtola
hartree-fock,Simple code for quantum chemistry
User: takafumi-shiraogawa
hartree-fock,A proof of concept restricted Hartree-Fock and DFT software for quantum chemistry
User: torinfs
hartree-fock,Python adaptation of the FORTRAN program included in the book "Modern Quantum Chemistry"
User: trustworthysnake
hartree-fock,Python module of Hartree-Fock and configuration interaction with visualization
User: yanzewu
hartree-fock,Hartree Fock method for Helium Lithium Beryllium using STO (Slator Type Orbital)
User: yueyericardo
Home Page: https://yyrcd.com/posts/hartree-fock/
hartree-fock,Funciones para la evaluación energética y gráficas de los diferentes casos que se estudian en Química Cuántica
User: zronyj
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