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
  ☆97Updated 6 months ago
• chinder753 / computational_chemistry_guidance
  收集了一些计算化学相关的推荐资料。
  ☆26Updated 8 months ago
• chenggroup / chenggroup.github.io
  XMU Chenglab Wiki
  ☆91Updated last month
• abacusmodeling / abacus-develop
  An electronic structure package based on either plane wave basis or numerical atomic orbitals.
  ☆177Updated 3 weeks ago
• ajz34 / Py_xDH
  Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization
  ☆65Updated 2 weeks ago
• RimoAccelerator / KST48
  ☆20Updated 7 months ago
• deepmodeling / abacus-develop
  An electronic structure package based on either plane wave basis or numerical atomic orbitals.
  ☆211Updated this week
• Walter-Feng / Hartree-Fock-in-CPP
  Hartree-Fock code written in full C++ standard
  ☆28Updated last year
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆135Updated 2 years ago
• BigBroSci-LVTHW / LVTHW
  ☆57Updated 8 months ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆111Updated last year
• MabinogiX / VASP-script
  ☆123Updated 6 years ago
• Lyle-zhang / Amesp
  Amateurish molecular electronic structure program.(for linux)
  ☆23Updated 8 years ago
• QijingZheng / pyband
  band plot using python matplotlib
  ☆172Updated 10 months ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆68Updated 3 months ago
• mzjb / DeepH-pack
  Deep neural networks for density functional theory Hamiltonian.
  ☆287Updated 10 months ago
• nawu97 / qe-study
  scripts related to qe
  ☆23Updated 3 years ago
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆82Updated 5 years ago
• Roy-Kid / lammpscn
  ☆74Updated last year
• pranabdas / espresso
  Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.
  ☆142Updated last week
• chenggroup / new-comer-tutorial
  新生入学培训资料
  ☆19Updated 2 years ago
• dralgroup / MLinQCbook22
  ☆26Updated 3 years ago
• QijingZheng / VaspBandUnfolding
  A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
  ☆244Updated 4 months ago
• tamaswells / VASPKIT_manual
  VASPKIT_manual markdown source!
  ☆80Updated 6 years ago
• Auto-Mech / MESS
  Master Equation system solver for determining (P,T)-dependent phenomenological rate constants
  ☆22Updated last week
• tamaswells / VASP_script
  Useful scripts for VASP
  ☆193Updated 3 years ago
• dftd4 / dftd4
  Generally Applicable Atomic-Charge Dependent London Dispersion Correction
  ☆195Updated 2 weeks ago
• cp2k / cp2k-input-tools
  Fully validating pure-python CP2K input file tools including preprocessing capabilities
  ☆54Updated this week