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calypso_auto_split/Run_CALYPSO.py

Lines 109 to 140 in a41a05c

def Run_single_step(self):
self.run_calypso()
for i in range(self.num_jobs):
self.set_vaspjobs(i + 1)
self.submit_vasp(i + 1)
index = self.num_jobs
#while index < self.PopSize:
nover = 0
mover = 0
tover = 0
while True:
time.sleep(self.sleeptime)
tover += 1
jobs_num = self.get_job_num()
if jobs_num == 0:
nover += 1
if nover == 10:
break
if tover == self.count:
os.system("killall %s" % self.vaspcmd)
break
print jobs_num,index
if jobs_num < self.num_jobs:
mover += 1
if (index < self.PopSize and mover == 2):
index += 1
self.set_vaspjobs(index)
self.submit_vasp(index)
mover = 0
nover = 0
tover = 0
self.deal_vasp()

I do not understand the means of nover in " if nover == 10 break "
why nover is 10 instead of another
why mover is 2 instead of another

proposal

the name of this repository calypso_auto_split
the name of main file caly_auto_split
they are different and make me confused
you should change one of them

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