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
  ☆84Updated 5 years ago
• yangjunjie0320 / hf-tutorial
  ☆39Updated last month
• chinder753 / computational_chemistry_guidance
  收集了一些计算化学相关的推荐资料。
  ☆32Updated last year
• chenggroup / chenggroup.github.io
  XMU Chenglab Wiki
  ☆96Updated 6 months ago
• jeanwsr / S-O-MQC-HW
  Solutions for Modern Quantum Chemistry, Szabo & Ostlund
  ☆100Updated 11 months ago
• Walter-Feng / Hartree-Fock-in-CPP
  Hartree-Fock code written in full C++ standard
  ☆28Updated last year
• BigBroSci-LVTHW / LVTHW
  ☆60Updated last year
• RimoAccelerator / KST48
  ☆20Updated 11 months ago
• ajz34 / Py_xDH
  Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization
  ☆68Updated 5 months ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆116Updated last year
• abacusmodeling / abacus-develop
  An electronic structure package based on either plane wave basis or numerical atomic orbitals.
  ☆191Updated this week
• deepmodeling / abacus-develop
  An electronic structure package based on either plane wave basis or numerical atomic orbitals.
  ☆243Updated this week
• QijingZheng / pyband
  band plot using python matplotlib
  ☆179Updated last year
• MabinogiX / VASP-script
  ☆128Updated 6 years ago
• tamaswells / VASP_script
  Useful scripts for VASP
  ☆196Updated 4 years ago
• Lyle-zhang / Amesp
  Amateurish molecular electronic structure program.(for linux)
  ☆23Updated 9 years ago
• orest-d / p4vasp
  p4vasp, the VASP Visualization Tool
  ☆152Updated 3 years ago
• QijingZheng / VaspBandUnfolding
  A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
  ☆262Updated 9 months ago
• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆136Updated 2 months ago
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆141Updated 2 years ago
• raman-sc / VASP
  Python program to evaluate off-resonance Raman activity using VASP code as the backend.
  ☆179Updated 3 weeks ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆75Updated last month
• QuantumLab-ZY / HamGNN
  An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix
  ☆159Updated 3 weeks ago
• nawu97 / qe-study
  scripts related to qe
  ☆28Updated 4 years ago
• zhangzhengde0225 / VaspCZ
  VaspCZ: an Efficient VASP Computation Assistant Program, with High Throughput Computing. 包含静态优化、过渡态计算、振动分析等
  ☆125Updated 3 years ago
• tamaswells / VASPKIT_manual
  VASPKIT_manual markdown source!
  ☆82Updated 6 years ago
• sunqm / py-qc-book
  ☆45Updated last year
• Xiaoxun-Gong / DeepH-E3
  ☆112Updated 2 years ago
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆200Updated this week
• 1234zou / MOKIT
  Orbital transfer and automatic multi-reference calculation for quantum chemistry
  ☆64Updated 2 weeks ago