mirror of
https://github.com/LCPQ/quantum_package
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27 lines
630 B
Python
Executable File
27 lines
630 B
Python
Executable File
#!/usr/bin/env python
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import os
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Pert_dir = os.environ["QP_ROOT"]+"/src/Perturbation/"
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perturbations = []
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for filename in filter(lambda x: x.endswith(".irp.f"), os.listdir(Pert_dir)):
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filename = Pert_dir+filename
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file = open(filename,'r')
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lines = file.readlines()
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file.close()
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for line in lines:
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buffer = line.lower().lstrip().split()
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if len(buffer) > 1:
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if buffer[0] == "subroutine" and buffer[1].startswith("pt2_"):
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p = (buffer[1].split('(')[0])[4:]
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perturbations.append( p )
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if __name__ == '__main__':
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print 'Perturbations:'
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for k in perturbations:
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print '* ', k
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