/usr/share/p4vasp/utils/commitXDATCAR.py is in p4vasp 0.3.29+dfsg-3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 | from p4vasp.db import *
from p4vasp.Structure import Structure
from sys import stdout
db=getDatabase()[0]
db.connect()
db.addUser()
path="XDATCAR"
s=Structure(path)
s.write(stdout)
f=open(path)
for i in range(8):f.readline() #Skip header
db.addRecord(keywords="MD,XDATCAR",name=s.comment)
step=0
while 1:
for i in range(len(s)):
s[i]=map(float,f.readline().split())
step+=1
#s.write(stdout)
db.storeStructure(s,step)
if f.readline().strip()!="":
break
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