Alternatives and similar repositories for szaboqc

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

• Warlocat / A-Not-So-Short-Guide-for-LinJun-Group
  浙江大学王林军课题组入门指南
  ☆79Updated 5 years ago
• yangjunjie0320 / hf-tutorial
  ☆37Updated 2 years ago
• jeanwsr / S-O-MQC-HW
  Solutions for Modern Quantum Chemistry, Szabo & Ostlund
  ☆96Updated 5 months ago
• chenggroup / chenggroup.github.io
  XMU Chenglab Wiki
  ☆89Updated last month
• RimoAccelerator / KST48
  ☆20Updated 6 months ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆109Updated last year
• chinder753 / computational_chemistry_guidance
  收集了一些计算化学相关的推荐资料。
  ☆24Updated 7 months ago
• ajz34 / Py_xDH
  Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization
  ☆65Updated last year
• Walter-Feng / Hartree-Fock-in-CPP
  Hartree-Fock code written in full C++ standard
  ☆28Updated last year
• BigBroSci-LVTHW / LVTHW
  ☆57Updated 8 months ago
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆135Updated 2 years ago
• abacusmodeling / abacus-develop
  An electronic structure package based on either plane wave basis or numerical atomic orbitals.
  ☆174Updated this week
• MabinogiX / VASP-script
  ☆121Updated 6 years ago
• QijingZheng / pyband
  band plot using python matplotlib
  ☆166Updated 9 months ago
• deepmodeling / abacus-develop
  An electronic structure package based on either plane wave basis or numerical atomic orbitals.
  ☆209Updated this week
• i-pi / i-pi
  i-PI: a universal force engine
  ☆268Updated last month
• Lyle-zhang / Amesp
  Amateurish molecular electronic structure program.(for linux)
  ☆23Updated 8 years ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆68Updated 2 months ago
• Auto-Mech / MESS
  Master Equation system solver for determining (P,T)-dependent phenomenological rate constants
  ☆22Updated 2 months ago
• tamaswells / VASPKIT_manual
  VASPKIT_manual markdown source!
  ☆79Updated 6 years ago
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆82Updated 5 years ago
• chenggroup / new-comer-tutorial
  新生入学培训资料
  ☆19Updated 2 years ago
• dralgroup / MLinQCbook22
  ☆26Updated 2 years ago
• tamaswells / VASP_script
  Useful scripts for VASP
  ☆190Updated 3 years ago
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆132Updated 3 years ago
• MolSSI-BSE / basis_set_exchange
  A repository for quantum chemistry basis sets
  ☆180Updated 2 weeks ago
• Roy-Kid / lammpscn
  ☆74Updated last year
• pranabdas / espresso
  Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.
  ☆140Updated 2 weeks ago
• QijingZheng / VaspBandUnfolding
  A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
  ☆241Updated 3 months ago
• Roy-Kid / extending-lammps-zh
  我盗版我自己
  ☆71Updated 2 years ago