idontknowyayya's repositories
LAMMPS_Simulation
Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling
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md_utils
A variety of scripts to aid MD simulations, especially with Lammps.
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mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
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Python-scientific-computation
《Python科学计算》第二版张若愚老师的演示代码
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reacnetgenerator
an automatic reaction network generator for reactive molecular dynamics simulation
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TCL_VMD_scripts
Some of useful tcl scripts to analyse data from VMD
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