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Require linear parameter for Arkane statmech jobs
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Previously, no error was raised when the `linear` parameter was not
implemented properly. This could hide information about incorrect
calculations if the user is not properly implementing the parameter.

This commit raises an error if no `linear` parameter is given.
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goldmanm committed Apr 10, 2019
1 parent 2563277 commit f1e196f
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion arkane/statmech.py
Expand Up @@ -254,7 +254,8 @@ def load(self, pdep=False):
try:
linear = local_context['linear']
except KeyError:
externalSymmetry = None
logging.error('You did not set whether the molecule is linear with the required `linear` parameter')
raise

try:
externalSymmetry = local_context['externalSymmetry']
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