A tool for calculating distortion parameters in coordination complexes.
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Updated
Apr 5, 2024 - Python
A tool for calculating distortion parameters in coordination complexes.
OctaDist package for PyPI.
Small program for spin crossover simulation in Ising model aproximation utlizing Monte Carlo method
Official website of OctaDist program.
A Python module for conducting DFT and G0W0 computations on spin-crossover molecules and solids using GPAW and ASE
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