smparker / mudslideLinks
Python implementation of Tully's Fewest Switches Surface Hopping
☆19Updated 5 months ago
Alternatives and similar repositories for mudslide
Users that are interested in mudslide are comparing it to the libraries listed below
Sorting:
- ☆23Updated 3 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…☆75Updated 5 months ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆55Updated last month
- ☆48Updated last week
- ☆12Updated 8 months ago
- ☆59Updated 4 months ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- Repository for all summer program related programs☆47Updated 2 months ago
- adcc: Seamlessly connect your program to ADC☆38Updated last month
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Coupled-cluster package written in Python.☆46Updated 2 weeks ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆18Updated last week
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆83Updated last year
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆23Updated last week
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆42Updated this week
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆45Updated last year
- Python quantum chemistry (experimental and test routines)☆12Updated 4 years ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆71Updated 3 months ago
- ☆52Updated last week
- Hartree-Fock Python☆19Updated 2 years ago
- Course material for an undergraduate quantum chemistry lab class☆51Updated last year
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆35Updated this week
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆53Updated 4 months ago
- Lecture materials for: Ab initio methods in solid state physics.☆22Updated 11 months ago
- ☆30Updated 5 years ago
- An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…☆35Updated last month
- A Python package for wave function-based quantum embedding☆35Updated last month
- Gauge-including magnetically induced currents.☆31Updated last year
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆22Updated last month
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆38Updated 6 years ago