igor-1982 / rest_tensors
☆10Updated last month
Related projects ⓘ
Alternatives and complementary repositories for rest_tensors
- A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)☆14Updated 2 years ago
- ☆26Updated last month
- TDDFT-ris for PySCF☆13Updated 3 months ago
- GMTKN test sets in python☆9Updated 2 years ago
- Library for local orbital scaling correction (LOSC).☆15Updated 4 months ago
- ☆13Updated 3 weeks ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- Main repository for the CP-PAW code☆11Updated 2 months ago
- Pythonic electronic structure theory.☆12Updated this week
- SeQuant: second quantization toolkit☆16Updated 2 years ago
- An open-source library for reduced-density matrix-based analysis and computation☆18Updated last year
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆19Updated 4 months ago
- MOHA: MOlecular HAmiltonian☆14Updated last year
- Donostia Natural Orbital Functional Software☆17Updated 5 months ago
- Density matrix embedding theory for periodic systems☆16Updated 2 years ago
- Dyson equation solvers for electron propagator methods☆10Updated 2 weeks ago
- Cornell-Holland Ab-initio Materials Package☆15Updated 3 months ago
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Updated last year
- n2v: Density-to-potential Inversion Suite☆21Updated 2 years ago
- Reference implementation of GW☆13Updated 5 years ago
- ☆16Updated 2 years ago
- Parallel Computational Chemistry Application☆18Updated 7 years ago
- An example to implement PBC SCF☆12Updated 6 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆18Updated 3 weeks ago
- A library of density matrix embedding theory (DMET).☆30Updated last week
- ☆13Updated 3 months ago
- Automatic equation of motion coupled cluster generator☆15Updated last year
- Automatic MR based on PySCF☆10Updated last month
- decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations☆10Updated last month
- ☆11Updated 3 years ago