Before a call to this first build atbo_tab.
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
integer, | intent(in) | :: | num_atoms | |||
integer, | intent(in) | :: | excluded_atoms | |||
type(itable_t), | intent(in) | :: | atat_tab | Atoms -> bonded atoms table |
||
type(itable_t), | intent(out) | :: | exat_tab | Atoms -> excluded (from vdw calculation) atoms table |