added deactivation method for dipolar p3m #2351
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@@ Coverage Diff @@
## python #2351 +/- ##
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Coverage 71% 71%
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Files 381 381
Lines 18905 18905
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Hits 13587 13587
Misses 5318 5318
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fweik
reviewed
Oct 29, 2018
| @@ -183,6 +183,10 @@ IF DP3M == 1: | |||
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| self._set_params_in_es_core() | |||
| mpi_bcast_coulomb_params() | |||
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| def _deactivate_method(self): | |||
| dp3m_deactivate() | |||
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Please check that you don't have to call mpi_bcast_coulomb_params() afterwards.
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That's already in the base call of _deactivate_method afterwards.
fweik
approved these changes
Oct 29, 2018
RudolfWeeber
pushed a commit
to RudolfWeeber/espresso
that referenced
this pull request
Oct 30, 2018
…olar_p3m added deactivation method for dipolar p3m
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Fixes #1937
Description of changes:
dp3m_set_prefactor()was unused, renamed todp3m_deactivate()Tested with the following snippet, which now forgets the tune-parameters: