From 4e249a6f7a0f8f8057bf72c07d39841a297e69a6 Mon Sep 17 00:00:00 2001 From: Simon Gravelle Date: Tue, 6 Aug 2024 22:52:54 +0200 Subject: [PATCH] removed read log --- .../breakable-bonds/etot_vs_step.dat | 270 ------------------ .../breakable-bonds/read-log.py | 29 -- 2 files changed, 299 deletions(-) delete mode 100644 level1/breaking-a-carbon-nanotube/breakable-bonds/etot_vs_step.dat delete mode 100644 level1/breaking-a-carbon-nanotube/breakable-bonds/read-log.py diff --git a/level1/breaking-a-carbon-nanotube/breakable-bonds/etot_vs_step.dat b/level1/breaking-a-carbon-nanotube/breakable-bonds/etot_vs_step.dat deleted file mode 100644 index 9ab48a3..0000000 --- a/level1/breaking-a-carbon-nanotube/breakable-bonds/etot_vs_step.dat +++ /dev/null @@ -1,270 +0,0 @@ -0.000000000000000000e+00 -4.908838737322889756e+03 -1.000000000000000000e+03 -4.898909646271519705e+03 -2.000000000000000000e+03 -4.898191115886300395e+03 -3.000000000000000000e+03 -4.898222338952839891e+03 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a/level1/breaking-a-carbon-nanotube/breakable-bonds/read-log.py b/level1/breaking-a-carbon-nanotube/breakable-bonds/read-log.py deleted file mode 100644 index f9c5981..0000000 --- a/level1/breaking-a-carbon-nanotube/breakable-bonds/read-log.py +++ /dev/null @@ -1,29 +0,0 @@ -#!/usr/bin/env python -# coding: utf-8 - -import numpy as np -import re, yaml - -docs = "" -with open("log.lammps") as f: - for line in f: - pattern = ( - r"^(keywords:.*$|" - r"data:$|" - r"---$|" - r"\.\.\.$|" - r" - \[.*\]$)" - ) - m = re.search(pattern, line) - if m: - docs += m.group(0) + '\n' -thermo = list( - yaml.load_all(docs, - Loader=yaml.CSafeLoader)) - -Etot_vs_step = [] -for line in thermo[0]['data']: - Etot_vs_step.append([line[0], line[4]]) -for line in thermo[1]['data']: - Etot_vs_step.append([line[0], line[4]]) -np.savetxt("etot_vs_step.dat", Etot_vs_step)