Alternatives and similar repositories for dvr_py:

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

• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆23Updated 10 months ago
• binggu56 / pyqed
  Computational tools for light-matter interaction including a whole zoo of nonlinear spectroscopic signals; nonadiabatic molecular dynamic…
  ☆19Updated 2 months ago
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆38Updated this week
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆20Updated 2 years ago
• sunqm / py-qc-book
  ☆24Updated 5 months ago
• Quantum-Dynamics-Hub / libra-code
  ☆51Updated last week
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆82Updated 9 months ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆28Updated last year
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆34Updated this week
• MRHemmati / pythTB
  ☆18Updated 6 years ago
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆35Updated last year
• MatthewRHermes / mrh
  MRH's research code
  ☆22Updated this week
• zglan / JADE-NAMD
  JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation
  ☆18Updated 3 years ago
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆29Updated 2 years ago
• cc-ats / qed-tddft
  Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis
  ☆14Updated last year
• zhendongli2008 / Lecture-Notes-On-Quantum-Chemistry
  Quantum Chemistry Course @ BNU2021
  ☆22Updated 2 years ago
• sanshar / Dice
  ☆48Updated 2 months ago
• hungpham2017 / pyWannier90
  A Wannier90 python interface for VASP and PySCF
  ☆37Updated last year
• skmin-lab / unixmd
  ☆20Updated 2 weeks ago
• NQCD / NQCDynamics.jl
  Fast and flexible nonadiabatic molecular dynamics in Julia!
  ☆62Updated 2 weeks ago
• theochem / ModelHamiltonian
  Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
  ☆34Updated last week
• asdamle / SCDM
  Code for the Selected Columns of the Density Matrix suite of algorithms
  ☆13Updated 6 years ago
• Lyle-zhang / Amesp
  Amateurish molecular electronic structure program.(for linux)
  ☆22Updated 8 years ago
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆35Updated 2 months ago
• nickirk / pymes
  PyMES is a package for developing new methods in quantum chemistry.
  ☆12Updated last month
• zhendongli2008 / qcmpodmrg
  An MPO-based DMRG code for Quantum Chemistry
  ☆12Updated 6 years ago
• shuaigroup / Renormalizer
  Quantum dynamics package based on tensor network states
  ☆58Updated last week
• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆22Updated last year
• marcobn / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)
  ☆39Updated 3 weeks ago
• mzjb / xDeepH
  Extended DeepH (xDeepH) method for magnetic materials.
  ☆36Updated last year