qmcurrents / gimicLinks
Gauge-including magnetically induced currents.
☆31Updated 2 years ago
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☆36Updated 3 months ago
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆47Updated last year
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆76Updated 8 months ago
- Coupled-cluster package written in Python.☆46Updated 2 months ago
- ☆48Updated last week
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆43Updated 3 weeks ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- a unified interface for molecular harmonic vibrational frequency calculations☆33Updated 6 months ago
- ASE density-functional tight-binding calculator☆68Updated last year
- Repository for all summer program related programs☆47Updated 6 months ago
- Many-body dispersion library☆59Updated 3 months ago
- ☆33Updated 2 years ago
- software package for tight-binding DFT calculations on ground and excited states of molecules☆13Updated 5 years ago
- The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry s…☆69Updated 2 weeks ago
- Python tool to manipulate Gaussian cube files☆49Updated 2 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.☆59Updated 6 months ago
- ☆53Updated last week
- Basic programs for generating Slater-Koster files for the DFTB-method☆27Updated last year
- Amateurish molecular electronic structure program.(for linux)☆23Updated 9 years ago
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆25Updated last month
- systematic molecular fragmentation by annihilation☆11Updated 6 years ago
- Analysis of quantum chemical interactions in molecules and solids.☆114Updated this week
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆45Updated 9 months ago
- ☆30Updated 5 years ago
- adcc: Seamlessly connect your program to ADC☆38Updated last week
- I can't believe it's NonAbelian!☆31Updated last month
- Python-based plane wave density functional theory code for educational purposes☆33Updated 10 months ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆21Updated 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…☆51Updated 3 months ago
- n2v: Density-to-potential Inversion Suite☆24Updated 3 years ago