CCQC / summer-programLinks
Repository for all summer program related programs
☆47Updated 4 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 last month
- Coupled-cluster package written in Python.☆46Updated last month
- ☆48Updated this week
- adcc: Seamlessly connect your program to ADC☆38Updated 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
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆56Updated 2 months ago
- An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…☆54Updated this week
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆46Updated last year
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆43Updated last month
- Gauge-including magnetically induced currents.☆31Updated 2 years ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆84Updated last year
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆40Updated 6 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆22Updated 2 weeks ago
- I can't believe it's NonAbelian!☆30Updated 5 months ago
- Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces☆73Updated 5 months ago
- ☆53Updated this week
- ☆60Updated 5 months ago
- a unified interface for molecular harmonic vibrational frequency calculations☆33Updated 4 months ago
- A Computational Chemistry DataBase☆45Updated 4 years ago
- optking: A molecular geometry optimization program☆25Updated 4 months ago
- std2 program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, SF-sTD-DFT, XsTDA, XsTD-DF…☆49Updated 2 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
- Many-body dispersion library☆57Updated last month
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 10 months ago
- ☆33Updated last year
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆99Updated 10 months ago
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆23Updated last month
- Basis set optimization library for quantum chemistry☆35Updated 5 months ago
- Molecular structure optimizer☆127Updated 3 years ago