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Merge branch 'lammps:develop' into mliappy_unified

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This commit is contained in:
Steven Anaya
2022-09-15 03:01:03 -06:00
committed by GitHub
parent 3d7a31a59f 83224f631d
commit e89899955b
483 changed files with 7320 additions and 4810 deletions
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14
src/library.cpp
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@ -5071,7 +5071,7 @@ void lammps_set_fix_external_callback(void *handle, const char *id, FixExternalF
if (strcmp("external",fix->style) != 0)
lmp->error->all(FLERR,"Fix '{}' is not of style 'external'", id);
auto fext = dynamic_cast<FixExternal *>( fix);
auto fext = dynamic_cast<FixExternal *>(fix);
fext->set_callback(callback, ptr);
}
END_CAPTURE
@ -5179,7 +5179,7 @@ void lammps_fix_external_set_energy_global(void *handle, const char *id, double
if (strcmp("external",fix->style) != 0)
lmp->error->all(FLERR,"Fix '{}' is not of style external!", id);
auto fext = dynamic_cast<FixExternal*>( fix);
auto fext = dynamic_cast<FixExternal*>(fix);
fext->set_energy_global(eng);
}
END_CAPTURE
@ -5227,7 +5227,7 @@ void lammps_fix_external_set_virial_global(void *handle, const char *id, double
if (strcmp("external",fix->style) != 0)
lmp->error->all(FLERR,"Fix '{}' is not of style external!", id);
auto fext = dynamic_cast<FixExternal*>( fix);
auto fext = dynamic_cast<FixExternal*>(fix);
fext->set_virial_global(virial);
}
END_CAPTURE
@ -5275,7 +5275,7 @@ void lammps_fix_external_set_energy_peratom(void *handle, const char *id, double
if (strcmp("external",fix->style) != 0)
lmp->error->all(FLERR,"Fix '{}' is not of style external!", id);
auto fext = dynamic_cast<FixExternal*>( fix);
auto fext = dynamic_cast<FixExternal*>(fix);
fext->set_energy_peratom(eng);
}
END_CAPTURE
@ -5326,7 +5326,7 @@ void lammps_fix_external_set_virial_peratom(void *handle, const char *id, double
if (strcmp("external",fix->style) != 0)
lmp->error->all(FLERR,"Fix '{}' is not of style external!", id);
auto fext = dynamic_cast<FixExternal*>( fix);
auto fext = dynamic_cast<FixExternal*>(fix);
fext->set_virial_peratom(virial);
}
END_CAPTURE
@ -5370,7 +5370,7 @@ void lammps_fix_external_set_vector_length(void *handle, const char *id, int len
if (strcmp("external",fix->style) != 0)
lmp->error->all(FLERR,"Fix '{}' is not of style external!", id);
auto fext = dynamic_cast<FixExternal*>( fix);
auto fext = dynamic_cast<FixExternal*>(fix);
fext->set_vector_length(len);
}
END_CAPTURE
@ -5424,7 +5424,7 @@ void lammps_fix_external_set_vector(void *handle, const char *id, int idx, doubl
if (strcmp("external",fix->style) != 0)
lmp->error->all(FLERR,"Fix '{}' is not of style external!", id);
auto fext = dynamic_cast<FixExternal*>( fix);
auto fext = dynamic_cast<FixExternal*>(fix);
fext->set_vector(idx, val);
}
END_CAPTURE