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1 parent 13b6175 commit ff0657cCopy full SHA for ff0657c
arkane/ess/molpro.py
@@ -350,7 +350,7 @@ def load_energy(self, zpe_scale_factor=1.):
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# Search for e_elect
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for line in lines:
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if f12 and f12a:
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- if 'CCSD(T)-F12a' in line and 'energy' in line:
+ if ('CCSD(T)-F12a' in line or 'CCSD(T)-F12/' in line and '!' not in line) and 'energy' in line:
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e_elect = float(line.split()[-1])
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break
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elif f12 and f12b:
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