qmcurrents / gimicLinks
Gauge-including magnetically induced currents.
☆31Updated last year
Alternatives and similar repositories for gimic
Users that are interested in gimic are comparing it to the libraries listed below
Sorting:
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆35Updated last week
- a unified interface for molecular harmonic vibrational frequency calculations☆33Updated 3 months ago
- Coupled-cluster package written in Python.☆46Updated 3 weeks ago
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆45Updated last year
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.☆58Updated 4 months ago
- Many-body dispersion library☆56Updated 2 weeks ago
- adcc: Seamlessly connect your program to ADC☆38Updated last month
- Repository for all summer program related programs☆47Updated 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…☆76Updated 5 months ago
- ☆48Updated this week
- ASE density-functional tight-binding calculator☆66Updated 9 months ago
- I can't believe it's NonAbelian!☆30Updated 4 months ago
- An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…☆35Updated last week
- std2 program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, SF-sTD-DFT, XsTDA, XsTD-DF…☆46Updated last month
- n2v: Density-to-potential Inversion Suite☆23Updated 3 years ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆42Updated last week
- ☆33Updated last year
- Tight Binding Machine Learning Toolkit☆44Updated last week
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆56Updated last month
- ☆34Updated last month
- A Computational Chemistry DataBase☆44Updated 4 years ago
- Full public release of large scale and linear scaling DFT code CONQUEST☆116Updated this week
- ☆30Updated 5 years ago
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆23Updated 2 weeks ago
- software package for tight-binding DFT calculations on ground and excited states of molecules☆10Updated 5 years ago
- ☆52Updated this week
- Python-based plane wave density functional theory code for educational purposes☆33Updated 8 months ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated this week
- Amateurish molecular electronic structure program.(for linux)☆23Updated 9 years ago