add option to extract newton_bond/newton_pair settings
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committed by
Richard Berger
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7cb644b425
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849e5ffee2
@ -841,6 +841,10 @@ not recognized, the function returns -1.
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See :doc:`create_box`.
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* - nthreads
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- Number of requested OpenMP threads for LAMMPS' execution
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* - newton_bond
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- 1 if Newton's 3rd law is applied to bonded interactions, 0 if not.
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* - newton_pair
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- 1 if Newton's 3rd law is applied to non-bonded interactions, 0 if not.
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* - triclinic
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- 1 if the the simulation box is triclinic, 0 if orthogonal.
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See :doc:`change_box`.
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@ -933,6 +937,8 @@ int lammps_extract_setting(void *handle, const char *keyword)
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if (strcmp(keyword,"dimension") == 0) return lmp->domain->dimension;
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if (strcmp(keyword,"box_exist") == 0) return lmp->domain->box_exist;
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if (strcmp(keyword,"newton_bond") == 0) return lmp->force->newton_bond;
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if (strcmp(keyword,"newton_pair") == 0) return lmp->force->newton_pair;
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if (strcmp(keyword,"triclinic") == 0) return lmp->domain->triclinic;
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if (strcmp(keyword,"universe_rank") == 0) return lmp->universe->me;
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