adc-connect / adcc

Related projects ⓘ

Alternatives and complementary repositories for adcc

• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆27Updated last week
• felixplasser / theodore-qc
  TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis
  ☆30Updated 3 months ago
• erikkjellgren / SlowQuant
  ☆39Updated this week
• evangelistalab / forte
  ☆51Updated this week
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆39Updated last month
• blevine37 / pySpawn17
  A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations
  ☆22Updated 2 months ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆17Updated last year
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆43Updated 4 months ago
• TREX-CoE / trexio
  TREX I/O library
  ☆46Updated 3 weeks ago
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆79Updated 5 months ago
• sanshar / Dice
  ☆43Updated 2 months ago
• edeprince3 / pdaggerq
  ☆44Updated last month
• Quantum-Dynamics-Hub / libra-code
  ☆50Updated this week
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆29Updated 2 years ago
• libmbd / libmbd
  Many-body dispersion library
  ☆52Updated last month
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆21Updated 2 years ago
• CCQC / summer-program
  Repository for all summer program related programs
  ☆42Updated last year
• MatthewRHermes / mrh
  MRH's research code
  ☆19Updated this week
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆33Updated 2 weeks ago
• iDEA-org / iDEA
  interacting Dynamic Electrons Approach
  ☆26Updated 3 months ago
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆20Updated 2 months ago
• robashaw / libecpint
  A C++ library for the efficient evaluation of integrals over effective core potentials.
  ☆28Updated 4 months ago
• sokolov-group / prism
  Python-based implementation of electronic structure theories for simulating spectroscopic properties
  ☆12Updated last week
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆26Updated last year
• smparker / mudslide
  Python implementation of Tully's Fewest Switches Surface Hopping
  ☆17Updated last month
• theochem / PyCI
  A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.
  ☆16Updated last week
• sharc-md / sharc
  The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…
  ☆69Updated this week
• zhendongli2008 / Lecture-Notes-On-Quantum-Chemistry
  Quantum Chemistry Course @ BNU2021
  ☆21Updated 2 years ago
• gayverjr / opencap
  An open source program for the description of metastable electronic states in molecules.
  ☆21Updated 3 weeks ago