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- # -*- coding: utf-8 -*-
- """
- Author: Shihab Ahmed
- Created on Sat Dec 7 22:11:41 2024
- """
- import magnolia.log_parser_FHB as lfp
- import matplotlib.pyplot as plt
- # mplt.custom_plot_features(minorticks=True)
- plt.style.use('default')
- plt.rcParams['font.size']=16
- fig, ax = plt.subplots(dpi=300)
- tsds={'1.39':1, '1.50':2, '1.70':3, '1.90':4, '1.80':5}
- sorted_tsds=sorted(tsds,reverse=True)
- for tsd in sorted_tsds:
- dirr = rf"C:\Users\arup2\OneDrive - University of California Merced\Desktop\LAMMPS\borgstore\REACTER\PAOr+Antioixdants\set001\A0003\Reaction\Sim-{tsds[tsd]}_TSD={tsd}"
- filename = r'\log.lammps'
- logfile = dirr+filename
- thermo = lfp.thermo_panda(logfile, serial='all', zero_ref='energy+time')
- prop_1 = 'Time'
- prop_2 = 'v_rxn1'
- x, y = thermo[prop_1]/1000, thermo[prop_2]
- start = 0
- end = 100000
- x, y = x.iloc[start:end], y.iloc[start:end]
- ax.plot(x,y, label=tsd)
- ax.set_xlabel('Time (ns)')
- ax.set_ylabel('Number of reactions')
- ax.legend(ncol=2, fontsize=13, loc='upper left',title='R$_{max}$')
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