Alternatives and similar repositories for rstsr:

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

• theochem / fanpy
  Projectively-optimized geminal and "fancyCI" wavefunctions
  ☆17Updated 2 years ago
• igor-1982 / rest
  ☆27Updated 2 months ago
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆14Updated this week
• Srlive1201 / LibRPA
  LibRPA is a library offering access to physical properties computed using many-body perturbation theory.
  ☆13Updated 2 months ago
• sunqm / pbchf
  An example to implement PBC SCF
  ☆13Updated 6 years ago
• abacusmodeling / LibRI
  ☆14Updated 2 months ago
• sunqm / py-qc-book
  ☆24Updated 5 months ago
• cc-ats / qed-tddft
  Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis
  ☆14Updated last year
• jlaaser / quantum-exercises
  In-Class/Active-Learning Exercises for Quantum Chemistry
  ☆17Updated 6 years ago
• FermiQC / GaussianBasis.jl
  Package to handle integrals over Gaussian-type atomic orbitals.
  ☆29Updated 2 weeks ago
• rquintero-88 / eomccgen
  Automatic equation of motion coupled cluster generator
  ☆16Updated last year
• FermiQC / Lints.jl
  Libint2 interface to Julia
  ☆13Updated 4 years ago
• fkfest / ElemCo.jl
  Julia implementation of various electron-correlation methods (main focus on coupled cluster methods).
  ☆14Updated 8 months ago
• stefabat / MolecularIntegrals
  A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals
  ☆10Updated 3 years ago
• CrawfordGroup / MLQM
  Machine-learning quantum mechanics
  ☆10Updated 4 years ago
• zhendongli2008 / Lecture-Notes-On-Quantum-Chemistry
  Quantum Chemistry Course @ BNU2021
  ☆22Updated 2 years ago
• eljost / sympleints
  Molecular integrals over Gaussian basis functions using sympy.
  ☆14Updated 5 months ago
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆15Updated 7 months ago
• John-zzh / TDDFT_Davidson
  a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF
  ☆11Updated 6 months ago
• obackhouse / gmtkn
  GMTKN test sets in python
  ☆10Updated 3 years ago
• zhendongli2008 / qcmpodmrg
  An MPO-based DMRG code for Quantum Chemistry
  ☆12Updated 6 years ago
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆29Updated 2 years ago
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆13Updated this week
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆16Updated 8 months ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated last month
• Warlocat / x2camf
  SOC integrals generator with atomic mean field approximation
  ☆9Updated 5 months ago
• xubwa / socutils
  ☆11Updated last month
• hczhai / fci-siso
  State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
  ☆9Updated 11 months ago
• piecuch-group / cct3
  CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…
  ☆13Updated last year
• hgaburton / libgnme
  A C++ library for evaluating non-orthogonal matrix elements in electronic structure
  ☆24Updated last month