StollLab / EasySpinLinks
MATLAB toolbox for Electron Paramagnetic Resonance (EPR) spectroscopy
☆54Updated 3 weeks ago
Alternatives and similar repositories for EasySpin
Users that are interested in EasySpin are comparing it to the libraries listed below
Sorting:
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆100Updated 11 months ago
- Gauge-including magnetically induced currents.☆31Updated 2 years ago
- ☆48Updated this week
- Coupled-cluster package written in Python.☆46Updated 2 months ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆35Updated 2 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆85Updated last year
- Repository for all summer program related programs☆47Updated 5 months ago
- A Toolbox for Post-Processing Quantum Chemical Wavefunction Data☆99Updated 4 years ago
- Solutions for Modern Quantum Chemistry, Szabo & Ostlund☆100Updated 11 months ago
- I can't believe it's NonAbelian!☆31Updated 2 weeks ago
- The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry s…☆69Updated this week
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆21Updated last year
- ASE density-functional tight-binding calculator☆68Updated 11 months ago
- This is a simple script to plot energy profile diagrams using Python and matplotlib.☆178Updated 5 months ago
- ☆23Updated last month
- A repository for quantum chemistry basis sets☆186Updated last month
- Open Computational Chemistry in C++☆21Updated last week
- Analysis of quantum chemical interactions in molecules and solids.☆113Updated this week
- adcc: Seamlessly connect your program to ADC☆38Updated last week
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆72Updated 8 months ago
- Python tool to manipulate Gaussian cube files☆49Updated 2 years ago
- A minimalistic atomic Density Functional Theory (DFT) code☆145Updated last week
- ERKALE -- HF/DFT from Hel☆52Updated last month
- IQmol is an open source molecular editor and visualization package☆107Updated 3 years ago
- ☆53Updated this week
- ☆30Updated last month
- A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)☆11Updated last year
- Many-body dispersion library☆59Updated 2 months ago
- Resources for teaching quantum chemistry courses in Bonn☆42Updated 5 months ago
- Parallelization of the commonly used MobCal suite to calculate ion mobilities and collision cross sections☆14Updated last year