Alternatives and similar repositories for McMurchie-Davidson

Users that are interested in McMurchie-Davidson are comparing it to the libraries listed below

• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆53Updated 3 months ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆38Updated 3 weeks ago
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆46Updated last week
• evangelistalab / forte
  ☆59Updated 3 months ago
• TREX-CoE / trexio
  TREX I/O library
  ☆61Updated last month
• erikkjellgren / SlowQuant
  ☆48Updated this week
• SebWouters / CheMPS2
  CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
  ☆71Updated 3 months ago
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆55Updated 3 weeks ago
• felixplasser / theodore-qc
  TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis
  ☆35Updated 3 months ago
• theochem / horton
  HORTON: Helpful Open-source Research TOol for N-fermion systems
  ☆99Updated 8 months ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆32Updated 2 years ago
• sanshar / Dice
  ☆58Updated 4 months ago
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆35Updated 2 weeks ago
• RMeli / Hartree-Fock
  Solution of Hartree-Fock equations within Pople's STO-3G basis set
  ☆38Updated 6 years ago
• NASymmetry / MolSym
  I can't believe it's NonAbelian!
  ☆28Updated 3 months ago
• sunqm / py-qc-book
  ☆36Updated last year
• libmbd / libmbd
  Many-body dispersion library
  ☆56Updated last year
• sunqm / pbchf
  An example to implement PBC SCF
  ☆14Updated 7 years ago
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆28Updated 2 months ago
• CCQC / summer-program
  Repository for all summer program related programs
  ☆47Updated 2 months ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• edeprince3 / pdaggerq
  ☆51Updated last month
• fevangelista / Quantum-Chemistry-Foundations
  ☆11Updated 8 months ago
• JiashuLiang / GSCDB138
  Gold-Standard Chemical Database 138 (GSCDB138)
  ☆24Updated last week
• dftlibs / numgrid
  Numerical integration grid for molecules.
  ☆50Updated 2 months ago
• robashaw / libecpint
  A C++ library for the efficient evaluation of integrals over effective core potentials.
  ☆28Updated last year
• pyscf / pyscf-forge
  pyscf-forge is a staging ground for code that may be suitable for pyscf-core
  ☆41Updated last week
• pwborthwick / harpy
  Hartree-Fock Python
  ☆19Updated 2 years ago
• MatthewRHermes / mrh
  MRH's research code
  ☆25Updated last week
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆25Updated 2 months ago