Alternatives and similar repositories for OpenRDM:

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

• filippi-claudia / champ
  The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …
  ☆18Updated 3 weeks 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
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆24Updated 2 weeks ago
• sokolov-group / prism
  Python-based implementation of electronic structure theories for simulating spectroscopic properties
  ☆12Updated last week
• edeprince3 / v2rdm_casscf
  A variational 2-RDM-driven CASSCF plugin to Psi4
  ☆10Updated 4 years ago
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆16Updated 8 months ago
• mickcollins / SMFAPAC
  systematic molecular fragmentation by annihilation
  ☆11Updated 5 years ago
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆15Updated 7 months ago
• obackhouse / gmtkn
  GMTKN test sets in python
  ☆10Updated 3 years ago
• jparkhill / RealtimePySCF
  Realtime Extensions to PySCF (TDDFT etc.)
  ☆11Updated 7 years ago
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆22Updated 2 years ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated 3 weeks ago
• wangenau / eminus
  Pythonic electronic structure theory.
  ☆14Updated this week
• cc4s / cc4s
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆20Updated 8 months ago
• theochem / fanpy
  Projectively-optimized geminal and "fancyCI" wavefunctions
  ☆17Updated 2 years ago
• openrsp / openrsp
  OpenRSP: open-ended response theory.
  ☆16Updated 4 years ago
• eriksen-lab / decodense
  decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations
  ☆10Updated 3 months ago
• kgururangan / Quantum-Chemistry
  Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…
  ☆16Updated 3 years ago
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆23Updated 3 weeks ago
• CrawfordGroup / MLQM
  Machine-learning quantum mechanics
  ☆10Updated 4 years ago
• DoNOF / DoNOFsw
  Donostia Natural Orbital Functional Software
  ☆18Updated 3 months ago
• BoothGroup / dyson
  Dyson equation solvers for electron propagator methods
  ☆10Updated 2 months ago
• grimme-lab / gcp
  Geometrical Counter-Poise Correction
  ☆11Updated 3 months ago
• robashaw / libecpint
  A C++ library for the efficient evaluation of integrals over effective core potentials.
  ☆28Updated 9 months ago
• fevangelista / CHEM532-ElectronicStructure-Notes
  Notes on Electronic Structure Theory (CHEM532)
  ☆25Updated 3 weeks ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆17Updated 2 years ago
• wavefunction91 / IntegratorXX
  Reusable DFT Grids for the Masses
  ☆15Updated last year