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README.md
README.md
 
 
alpha_shape_ghost.py
alpha_shape_ghost.py
 
 
alpha_shape_ghost_particles.py
alpha_shape_ghost_particles.py
 
 
alpha_shape_gosth_optimized.py
alpha_shape_gosth_optimized.py
 
 
alpha_shape_spirit.py
alpha_shape_spirit.py
 
 
alpha_shape_surface.py
alpha_shape_surface.py
 
 
alpha_shape_v2.py
alpha_shape_v2.py
 
 
cluster_app.py
cluster_app.py
 
 
cluster_app_spirit.py
cluster_app_spirit.py
 
 
cluster_app_spirit_rangecluster.py
cluster_app_spirit_rangecluster.py
 
 
cluster_app_spirit_recursive.py
cluster_app_spirit_recursive.py
 
 
clustering_interface.py
clustering_interface.py
 
 
opentopologyc_extractor.py
opentopologyc_extractor.py
 
 
process_dump_border.py
process_dump_border.py
 
 
simplified_extractor_enhanced.py
simplified_extractor_enhanced.py
 
 
simplified_extractor_enhanced_spirit.py
simplified_extractor_enhanced_spirit.py
 
 
train_simplified.py
train_simplified.py
 
 
train_simplified_spirit.py
train_simplified_spirit.py
 
 
vacancy_batch_predict.py
vacancy_batch_predict.py
 
 
vacancy_batch_predict_improved.py
vacancy_batch_predict_improved.py
 
 
vacancy_predict.py
vacancy_predict.py
 
 
vacancy_predict_autoencoder.py
vacancy_predict_autoencoder.py
 
 
vacancy_predict_opentopo.py
vacancy_predict_opentopo.py
 
 

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super-code-2026

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resumen de herramientas de analisis de simulaciones de dinamica molecular con LAMMPS. El proposito es crear una alternativa al metodo de wigner seitz para calcular vacancias en estructuras cristalinas fcc y bcc.

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