erikkjellgren / SlowQuantLinks
☆48Updated last week
Alternatives and similar repositories for SlowQuant
Users that are interested in SlowQuant are comparing it to the libraries listed below
Sorting:
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆85Updated last year
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆100Updated 11 months ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆35Updated 2 months ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆56Updated this week
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆76Updated 7 months ago
- Repository for all summer program related programs☆47Updated 5 months ago
- Coupled-cluster package written in Python.☆46Updated last month
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆24Updated last week
- ☆60Updated 6 months ago
- adcc: Seamlessly connect your program to ADC☆38Updated this week
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆74Updated 3 months ago
- Many-body dispersion library☆58Updated 2 months ago
- I can't believe it's NonAbelian!☆31Updated last week
- Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces☆74Updated 6 months ago
- Molecular structure optimizer☆128Updated 3 years ago
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆47Updated last year
- TREX I/O library☆63Updated 3 weeks ago
- optking: A molecular geometry optimization program☆26Updated 4 months ago
- Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in…☆19Updated last month
- ☆53Updated this week
- ASE density-functional tight-binding calculator☆68Updated 11 months ago
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆40Updated 6 years ago
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Updated last year
- A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.☆69Updated 4 years ago
- 🎉 Simple restricted Hartree-Fock code in Python☆37Updated 7 years ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆21Updated last week
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆43Updated last month
- An API for the Polarizable Continuum Model☆36Updated 2 years ago
- Numerical integration grid for molecules.☆50Updated 4 months ago
- An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…☆57Updated last week