Repository for all summer program related programs
☆47Aug 11, 2025Updated 6 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:
- quantum chemistry common driver and databases☆16Dec 6, 2022Updated 3 years ago
- Multipurpose ab initio MD program.☆12Jan 1, 2026Updated last month
- optking: A molecular geometry optimization program☆26Aug 22, 2025Updated 6 months ago
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Jul 4, 2021Updated 4 years ago
- PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory☆16Jan 31, 2023Updated 3 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A.…☆10Jan 1, 2019Updated 7 years ago
- An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…☆58Feb 6, 2026Updated 3 weeks ago
- Open source stochastic quantum chemistry☆79Dec 17, 2025Updated 2 months ago
- Personal collection of scripts to handle FHI-aims calculations.☆11May 26, 2024Updated last year
- A very simple quantum chemistry program☆10Jan 4, 2019Updated 7 years ago
- Natural-orbital Functional based on PySCF☆10Aug 27, 2024Updated last year
- DMRG and DMRGSCF☆15Mar 8, 2024Updated last year
- A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.☆69May 18, 2021Updated 4 years ago
- davidson iterative diagonalizer☆12Jun 30, 2021Updated 4 years ago
- ☆12Feb 20, 2025Updated last year
- Python quantum chemistry (experimental and test routines)☆12May 21, 2021Updated 4 years ago
- Tools to facilitate input generation and analysis of FCclasses (see http://www.iccom.cnr.it/en/fcclasses)☆16Jan 23, 2026Updated last month
- Website documentation for the VeloxChem program.☆16Oct 21, 2025Updated 4 months ago
- a unified interface for molecular harmonic vibrational frequency calculations☆33Jul 28, 2025Updated 6 months ago
- fast functionalisation of molecules☆39Nov 8, 2021Updated 4 years ago
- Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces☆75Jan 19, 2026Updated last month
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆24Nov 7, 2025Updated 3 months ago
- ☆11Aug 27, 2024Updated last year
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆18Feb 11, 2026Updated 2 weeks ago
- Combining Psi4 and Numpy for education and development.☆387Jan 8, 2024Updated 2 years ago
- do the Fourier transform using the method of Padé approximants☆23Nov 4, 2024Updated last year
- Molecular structure optimizer☆130Dec 17, 2022Updated 3 years ago
- ☆31Apr 16, 2018Updated 7 years ago
- calculate chemical bond strength in solids, surfaces and molecules☆24Sep 6, 2025Updated 5 months ago
- Quick Reaction Coordinate: normal mode displacement of transition structures☆39Updated this week
- FLOSIC code is used for performing self-interaction corrected (SIC) density functional approximation calculations. Fermi Löwdin orbital i…☆17Sep 11, 2025Updated 5 months ago
- Quantum systems containing matrix elements for second quantized solvers☆10Oct 30, 2024Updated last year
- ☆13Jul 25, 2025Updated 7 months ago
- ☆60Jun 30, 2025Updated 7 months ago
- Resources for teaching quantum chemistry courses in Bonn☆41Jul 23, 2025Updated 7 months ago
- Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting.☆16Aug 8, 2017Updated 8 years ago
- Fast computation of a gaussian and its derivative on a grid.☆31Sep 26, 2025Updated 5 months ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Jul 10, 2022Updated 3 years ago