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
  ☆74Updated 5 years ago
• yangjunjie0320 / hf-tutorial
  ☆37Updated 2 years ago
• chinder753 / computational_chemistry_guidance
  收集了一些计算化学相关的推荐资料。
  ☆23Updated 5 months ago
• BigBroSci-LVTHW / LVTHW
  ☆56Updated 6 months ago
• jeanwsr / S-O-MQC-HW
  Solutions for Modern Quantum Chemistry, Szabo & Ostlund
  ☆94Updated 4 months ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆106Updated last year
• ajz34 / Py_xDH
  Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization
  ☆63Updated last year
• chenggroup / chenggroup.github.io
  XMU Chenglab Wiki
  ☆87Updated 3 weeks ago
• RimoAccelerator / KST48
  ☆20Updated 4 months ago
• MabinogiX / VASP-script
  ☆120Updated 6 years ago
• MCresearch / Candela
  Collection of ANalysis DEsigned for Large-scale Atomic simulations
  ☆12Updated 5 months ago
• QijingZheng / pyband
  band plot using python matplotlib
  ☆166Updated 7 months ago
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆134Updated last year
• raman-sc / VASP
  Python program to evaluate off-resonance Raman activity using VASP code as the backend.
  ☆172Updated 8 years ago
• abacusmodeling / abacus-develop
  An electronic structure package based on either plane wave basis or numerical atomic orbitals.
  ☆170Updated 2 weeks ago
• Walter-Feng / Hartree-Fock-in-CPP
  Hartree-Fock code written in full C++ standard
  ☆28Updated last year
• QijingZheng / VaspBandUnfolding
  A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
  ☆237Updated 2 months ago
• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆121Updated 3 years ago
• liyuanhe211 / Energy_Diagram_Plotter_CDXML
  A tool to create pixel-accurate energy diagrams as ChemDraw object
  ☆65Updated 4 months ago
• zjwang11 / IRVSP
  IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…
  ☆115Updated 2 years ago
• tamaswells / VASP_script
  Useful scripts for VASP
  ☆188Updated 3 years ago
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆138Updated 2 months ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆68Updated 3 weeks ago
• Chengcheng-Xiao / VASP2WAN90_v2_fix
  An updated version of the VASP2WANNIER90v2 interface
  ☆94Updated last year
• sunqm / libcint
  general GTO integrals for quantum chemistry
  ☆226Updated 2 weeks ago
• vasp-dev / py4vasp
  Python interface for VASP
  ☆85Updated this week
• Xiaoxun-Gong / DeepH-E3
  ☆97Updated 2 years ago
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆82Updated 5 years ago
• deepmodeling / abacus-develop
  An electronic structure package based on either plane wave basis or numerical atomic orbitals.
  ☆202Updated this week
• golddoushi / mcsolver
  A user friendly tools using Monte Carlo simulations for estimation of Curie temperature
  ☆80Updated 2 months ago