igor-1982 / restLinks
☆27Updated 3 weeks ago
Alternatives and similar repositories for rest
Users that are interested in rest are comparing it to the libraries listed below
Sorting:
- ☆16Updated 2 months ago
- Donostia Natural Orbital Functional Software☆20Updated 8 months ago
- A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)☆15Updated 2 years ago
- ☆32Updated 10 months ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 2 months ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆20Updated last year
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- efficient TDDFT-ris based on MOKIT and PySCF☆19Updated 5 months ago
- n2v: Density-to-potential Inversion Suite☆23Updated 2 years ago
- An example to implement PBC SCF☆14Updated 7 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆31Updated 3 years ago
- Automatic MR based on PySCF☆15Updated 3 weeks ago
- MRH's research code☆25Updated this week
- Python implementation of electronic structure theories for simulating spectroscopic properties☆17Updated 2 weeks ago
- A Python package for wave function-based quantum embedding☆34Updated last week
- adcc: Seamlessly connect your program to ADC☆37Updated this week
- A library of density matrix embedding theory (DMET).☆36Updated 6 months ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆53Updated 3 weeks ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 7 years ago
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆20Updated 4 months ago
- MPI parallelization for PySCF☆34Updated 9 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆30Updated 2 years ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Updated 2 years ago
- A general purpose library to study vibrational problems using diffusion monte carlo☆17Updated 10 months ago
- ☆11Updated 5 months ago
- Quantum Chemistry Course @ BNU2021☆22Updated 2 years ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated last year
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆38Updated 6 years ago
- Pythonic electronic structure theory.☆18Updated 2 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆28Updated last week