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better precision

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This commit is contained in:
Léo Gaspard 2019-05-10 10:18:58 +02:00
parent 5efb06e67d
commit 075e6db294
1 changed files with 1 additions and 1 deletions
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2
crystal_met.py
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@ -785,7 +785,7 @@ def main():
g = open('tmp.xyz','w')
g.write('%i \n \n'%len(frag))
for j in frag:
g.write('%s % 6.2f % 6.2f % 6.2f \n'%(j[3],j[0],j[1],j[2]))
g.write('%s % 6.5f % 6.5f % 6.5f \n'%(j[3],j[0],j[1],j[2]))
g.close()
os.system('avogadro tmp.xyz')
os.system('rm tmp.xyz')