CCQC / summer-programLinks
Repository for all summer program related programs
☆47Updated 5 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☆36Updated 3 months ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆79Updated 2 weeks ago
- ☆48Updated last week
- Coupled-cluster package written in Python.☆46Updated 2 months ago
- adcc: Seamlessly connect your program to ADC☆38Updated this week
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆85Updated last year
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆47Updated last year
- I can't believe it's NonAbelian!☆31Updated last month
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆43Updated 2 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…☆76Updated 8 months ago
- ☆12Updated 11 months ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- ☆30Updated 5 years ago
- An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…☆57Updated this week
- ☆45Updated last year
- ☆53Updated this week
- a unified interface for molecular harmonic vibrational frequency calculations☆33Updated 6 months ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆19Updated last week
- Gauge-including magnetically induced currents.☆31Updated 2 years ago
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆40Updated 6 years ago
- Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces☆75Updated 2 weeks ago
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆23Updated last month
- ☆60Updated 7 months ago
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 11 months ago
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆19Updated 4 years ago
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆100Updated 11 months ago
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆25Updated last month
- General Reference Configuration Interaction package☆14Updated 3 weeks ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆56Updated 3 weeks ago
- A Computational Chemistry DataBase☆45Updated 4 years ago