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nexus: make symlink

This commit is contained in:
Jaron Krogel 2022-09-16 11:46:43 -04:00
parent c6ad1b5fcb
commit 27a1bb6f21
1 changed files with 9 additions and 0 deletions
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9
nexus/lib/qmcpack_converters.py
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@ -864,6 +864,15 @@ class Convert4qmc(Simulation):
output = open(os.path.join(self.locdir,self.outfile),'r').read()
#errors = open(os.path.join(self.locdir,self.errfile),'r').read()
orbs = self.input.orbitals
if orbs is not None and orbs.endswith('.h5'):
cwd = os.getcwd()
os.chdir(self.locdir)
orbfile = self.get_prefix()+'.orbs.h5'
os.system('ln -s {} {}'.format(orbs,orbfile))
os.chdir(cwd)
#end if
success = 'QMCGaussianParserBase::dump' in output
for filename in self.list_output_files():
success &= os.path.exists(os.path.join(self.locdir,filename))