adc-connect / adccLinks
adcc: Seamlessly connect your program to ADC
☆38Updated last month
Alternatives and similar repositories for adcc
Users that are interested in adcc are comparing it to the libraries listed below
Sorting:
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆56Updated last month
- Coupled-cluster package written in Python.☆46Updated 2 weeks ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆35Updated last week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆33Updated 2 weeks ago
- A Python package for wave function-based quantum embedding☆37Updated last month
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆83Updated last year
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Open Orbital Optimizer☆29Updated 3 months ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆54Updated 4 months ago
- I can't believe it's NonAbelian!☆30Updated 4 months ago
- Reusable DFT Grids for the Masses☆19Updated 2 months ago
- ☆48Updated last week
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆42Updated last week
- Python implementation of electronic structure theories for simulating spectroscopic properties☆18Updated last week
- ☆12Updated 8 months ago
- MRH's research code☆25Updated last week
- optking: A molecular geometry optimization program☆25Updated 2 months ago
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆22Updated last month
- Repository for all summer program related programs☆47Updated 3 months ago
- ☆59Updated 4 months ago
- Correlation consistent Gaussian basis sets for solids☆24Updated 5 months ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆45Updated 4 months ago
- Many-body dispersion library☆56Updated 2 weeks ago
- TREX I/O library☆61Updated 2 months ago
- An example to implement PBC SCF☆14Updated 7 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- n2v: Density-to-potential Inversion Suite☆23Updated 3 years ago
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆34Updated this week
- ☆59Updated 4 months ago
- Hartree-Fock Python☆20Updated 2 years ago