erikkjellgren / SlowQuantLinks
☆44Updated 2 weeks ago
Alternatives and similar repositories for SlowQuant
Users that are interested in SlowQuant are comparing it to the libraries listed below
Sorting:
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆23Updated 4 months ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆49Updated 8 months ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆33Updated 3 months ago
- Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces☆72Updated this week
- Coupled-cluster package written in Python.☆40Updated last month
- adcc: Seamlessly connect your program to ADC☆36Updated this week
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated last year
- Repository for all summer program related programs☆45Updated 2 weeks ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆52Updated 2 months ago
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆73Updated last month
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆41Updated last year
- An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…☆33Updated last week
- Crawford's Quantum Chemistry Exercises by Python approach☆30Updated 2 years ago
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆97Updated 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…☆42Updated 4 months ago
- TREX I/O library☆51Updated this week
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆37Updated 3 weeks ago
- Psi4Education Labs Public Repository. If you are submitting a new lab, please submit it to the psi4education-instructor repo.☆54Updated 3 years ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆20Updated last month
- Molecular structure optimizer☆120Updated 2 years ago
- Many-body dispersion library☆55Updated 8 months ago
- This library tackles the construction and efficient execution of computational chemistry workflows☆47Updated last year
- MBX is an energy and force calculator for data-driven many-body simulations.☆39Updated 9 months ago
- Tools to facilitate input generation and analysis of FCclasses (see http://www.iccom.cnr.it/en/fcclasses)☆13Updated 3 months ago
- Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.☆53Updated last year
- I can't believe it's NonAbelian!☆22Updated 2 weeks ago
- Collection of 'compound scripts' for use with the ORCA quantum chemistry software☆78Updated last week
- optking: A molecular geometry optimization program☆23Updated 4 months ago
- ☆58Updated last month
- A Computational Chemistry DataBase☆41Updated 3 years ago