erikkjellgren / SlowQuantLinks
☆44Updated this week
Alternatives and similar repositories for SlowQuant
Users that are interested in SlowQuant are comparing it to the libraries listed below
Sorting:
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated last year
- Coupled-cluster package written in Python.☆41Updated last month
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆97Updated 5 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
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆34Updated 3 months ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆51Updated 9 months ago
- Repository for all summer program related programs☆45Updated this week
- Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces☆72Updated last week
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆52Updated last week
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆23Updated 5 months ago
- ☆58Updated last week
- adcc: Seamlessly connect your program to ADC☆36Updated last week
- TREX I/O library☆53Updated this week
- Many-body dispersion library☆55Updated 9 months ago
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆41Updated last year
- Crawford's Quantum Chemistry Exercises by Python approach☆31Updated 3 years ago
- Gauge-including magnetically induced currents.☆28Updated last year
- Molecular structure optimizer☆122Updated 2 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…☆43Updated 4 months ago
- An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…☆33Updated last month
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆37Updated last month
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆36Updated 6 years ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆20Updated this week
- 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
- ☆23Updated 2 weeks ago
- Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.☆115Updated 3 weeks ago
- A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.☆67Updated 4 years ago
- Numerical integration grid for molecules.☆50Updated 8 months ago
- ASE density-functional tight-binding calculator☆67Updated 5 months ago
- ☆52Updated this week