lmmentel/batchcalculator

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9
Rank 1,939,727 (Top 39 %)
Language
Python
License
MIT License
Created about 10 years ago
Updated over 6 years ago

lmmentel/batchcalculator

lmmentel

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Batch Calculator for Zeolite synthesis

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Fortran interface for GAMESS(US) allowing for reading gamess files

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visualization of zeolite framework classifications

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jupyter notebooks with different viewers of ASE structures

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Space-Reduced Bond-Order grid for diatomics

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Catalyst deactivation and coke formation models

lmmentel.github.io

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