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
  ☆82Updated 5 years ago
• yangjunjie0320 / hf-tutorial
  ☆37Updated 2 years ago
• jeanwsr / S-O-MQC-HW
  Solutions for Modern Quantum Chemistry, Szabo & Ostlund
  ☆97Updated 7 months ago
• chenggroup / chenggroup.github.io
  XMU Chenglab Wiki
  ☆93Updated 3 months ago
• chinder753 / computational_chemistry_guidance
  收集了一些计算化学相关的推荐资料。
  ☆26Updated 9 months ago
• RimoAccelerator / KST48
  ☆20Updated 8 months ago
• ajz34 / Py_xDH
  Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization
  ☆65Updated 2 months ago
• BigBroSci-LVTHW / LVTHW
  ☆57Updated 10 months ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆114Updated last year
• abacusmodeling / abacus-develop
  An electronic structure package based on either plane wave basis or numerical atomic orbitals.
  ☆181Updated 2 months ago
• Walter-Feng / Hartree-Fock-in-CPP
  Hartree-Fock code written in full C++ standard
  ☆28Updated last year
• QijingZheng / pyband
  band plot using python matplotlib
  ☆175Updated 11 months ago
• deepmodeling / abacus-develop
  An electronic structure package based on either plane wave basis or numerical atomic orbitals.
  ☆215Updated this week
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆70Updated 4 months ago
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆137Updated 2 years ago
• Lyle-zhang / Amesp
  Amateurish molecular electronic structure program.(for linux)
  ☆23Updated 8 years ago
• MabinogiX / VASP-script
  ☆124Updated 6 years ago
• QijingZheng / VaspBandUnfolding
  A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
  ☆248Updated 5 months ago
• John-zzh / TDDFT_Davidson
  a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF
  ☆11Updated last year
• MolSSI-BSE / basis_set_exchange
  A repository for quantum chemistry basis sets
  ☆184Updated 2 months ago
• QuantumLab-ZY / HamGNN
  An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix
  ☆123Updated this week
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆84Updated 5 years ago
• tamaswells / VASP_script
  Useful scripts for VASP
  ☆193Updated 3 years ago
• MCresearch / abacus-user-guide
  ABACUS开源软件的中文用户文档
  ☆34Updated this week
• vasp-dev / py4vasp
  Python interface for VASP
  ☆87Updated this week
• chenggroup / new-comer-tutorial
  新生入学培训资料
  ☆18Updated 3 years ago
• i-pi / i-pi
  i-PI: a universal force engine
  ☆271Updated last week
• dralgroup / MLinQCbook22
  ☆27Updated 3 years ago
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆162Updated last week
• tamaswells / VASPKIT_manual
  VASPKIT_manual markdown source!
  ☆80Updated 6 years ago