CCQC / summer-programLinks
Repository for all summer program related programs
☆47Updated 2 months ago
Alternatives and similar repositories for summer-program
Users that are interested in summer-program are comparing it to the libraries listed below
Sorting:
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆35Updated 3 months ago
- ☆48Updated this week
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆55Updated 3 weeks ago
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆74Updated 5 months ago
- Coupled-cluster package written in Python.☆46Updated last week
- An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…☆35Updated 3 weeks ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- I can't believe it's NonAbelian!☆28Updated 3 months ago
- adcc: Seamlessly connect your program to ADC☆38Updated 3 weeks ago
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆43Updated last year
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆22Updated 3 weeks ago
- ☆52Updated this week
- Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces☆73Updated 3 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆83Updated last year
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆38Updated 6 years ago
- std2 program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, SF-sTD-DFT, XsTDA, XsTD-DF…☆44Updated last week
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆23Updated 8 months ago
- ☆59Updated 3 months ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆41Updated last week
- ☆11Updated 8 months ago
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆18Updated 4 years ago
- A Computational Chemistry DataBase☆43Updated 4 years ago
- Gauge-including magnetically induced currents.☆31Updated last year
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆99Updated 8 months ago
- Tutorials showcasing various capabilities of Libra☆24Updated last month
- Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in…☆19Updated this week
- ☆23Updated 3 months ago
- General Reference Configuration Interaction package☆14Updated 3 months ago
- ☆32Updated last year
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆53Updated 3 months ago