Pinned Repositories
dist_dope
The idea of this script is to compare a supercell and a unit cell and compute the average distortion induced by a point defect. The original use was to evaluate the distortion induced by a dopant atom. It worked, but lacks generalization and is in state of abandon due to more pressing tasks.
gameofsurvival
I've made this program as a student project. I tried to teach the game of life to play itself, i.e. maximize the average number of alive cells within a space using a neural network. It went somewhat well.
imageopt
A handy tool for VCNEB calculations: reads the Images file and (greedily) optimizes the atomic positions
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
deecadance's Repositories
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