Alternatives and similar repositories for StackBlock

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

• Warlocat / x2camf
  SOC integrals generator with atomic mean field approximation
  ☆10Updated 4 months ago
• xubwa / socutils
  ☆13Updated last month
• zhendongli2008 / qcmpodmrg
  An MPO-based DMRG code for Quantum Chemistry
  ☆13Updated 7 years ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆33Updated last month
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆24Updated 6 months ago
• DoNOF / DoNOFsw
  Donostia Natural Orbital Functional Software
  ☆21Updated last month
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆17Updated last year
• rohkeaID / elk-w90-improved
  An interface for ELK-Wannier90 calculations
  ☆16Updated 5 years ago
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆18Updated last week
• edeprince3 / v2rdm_casscf
  A variational 2-RDM-driven CASSCF plugin to Psi4
  ☆11Updated 4 years ago
• TREX-CoE / trexio_tools
  Set of tools for trexio files
  ☆19Updated last month
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆17Updated last year
• ak-ustutt / GeCCo-public
  public version of our general contraction code project
  ☆11Updated 6 months ago
• MatthewRHermes / mrh
  MRH's research code
  ☆25Updated last week
• hungpham2017 / pDMET
  Density matrix embedding theory for periodic systems
  ☆18Updated 3 years ago
• QMCPACK / pseudopotentiallibrary
  Repository for PseudopotentialLibrary.org website and database
  ☆15Updated 2 months ago
• BoothGroup / dyson
  Dyson equation solvers for Green's function methods
  ☆10Updated this week
• filippi-claudia / champ
  The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …
  ☆20Updated last week
• jeanwsr / pyNOF
  Natural-orbital Functional based on PySCF
  ☆10Updated last year
• gayverjr / opencap
  An open source program for the description of metastable electronic states in molecules.
  ☆22Updated 7 months ago
• jeanwsr / pyAutoMR
  Automatic MR based on PySCF
  ☆16Updated last month
• mickcollins / SMFAPAC
  systematic molecular fragmentation by annihilation
  ☆11Updated 6 years ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆30Updated this week
• obackhouse / gmtkn
  GMTKN test sets in python
  ☆11Updated 3 years ago
• hczhai / fci-siso
  State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
  ☆13Updated last month
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆37Updated this week
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• UFParLab / aces4
  Parallel Computational Chemistry Application
  ☆18Updated 8 years ago
• YiHeXu517 / Kylin-V
  TD-DMRG and VHCI package
  ☆10Updated 4 months ago
• pernalk / GAMMCOR
  gammcor code
  ☆11Updated 2 months ago