28 lines
664 B
Python
28 lines
664 B
Python
#!/usr/bin/env python3
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import os
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from qp_path import QP_SRC
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Pert_dir = os.path.join(QP_SRC,"perturbation")
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perturbations = []
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for filename in [x for x in os.listdir(Pert_dir) if x.endswith(".irp.f")]:
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filename = os.path.join(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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