sunqm / py-qc-bookLinks
☆44Updated last year
Alternatives and similar repositories for py-qc-book
Users that are interested in py-qc-book are comparing it to the libraries listed below
Sorting:
- Coupled-cluster package written in Python.☆46Updated last month
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Quantum dynamics package based on tensor network states☆65Updated this week
- ☆12Updated 10 months ago
- MRH's research code☆25Updated this week
- Quantum Chemistry Course @ BNU2021☆22Updated 3 years ago
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization☆67Updated 4 months ago
- ☆63Updated 6 months ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- An example to implement PBC SCF☆14Updated 7 years ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆84Updated last year
- ☆53Updated this week
- adcc: Seamlessly connect your program to ADC☆38Updated this week
- Open-source stochastic GW software☆13Updated 7 months ago
- Amateurish molecular electronic structure program.(for linux)☆23Updated 9 years ago
- ☆60Updated 5 months ago
- JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation☆19Updated 4 years ago
- ☆37Updated 2 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆34Updated last month
- A library of density matrix embedding theory (DMET).☆37Updated 10 months ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆45Updated 3 months ago
- Hartree-Fock code written in full C++ standard☆28Updated last year
- Solutions for Modern Quantum Chemistry, Szabo & Ostlund☆100Updated 10 months ago
- Orbital transfer and automatic multi-reference calculation for quantum chemistry☆63Updated this week
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆46Updated last year
- ☆112Updated 6 months ago
- I can't believe it's NonAbelian!☆30Updated 5 months ago
- PRinceton Orbital-Free Electronic Structure Software☆29Updated 5 years ago
- ☆53Updated last week
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆43Updated last month