Abstract counting function.
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elemental real(wp) function | ncoord_count (self, mol, izp, jzp, r) |
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Abstract counting function.
◆ ncoord_count()
elemental real(wp) function tblite_ncoord_type::ncoord_count::ncoord_count |
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class(ncoord_type), intent(in) | self, |
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type(structure_type), intent(in) | mol, |
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integer, intent(in) | izp, |
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integer, intent(in) | jzp, |
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real(wp), intent(in) | r ) |
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virtual |
- Parameters
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[in] | self | Instance of coordination number container |
[in] | mol | Molecular structure data |
[in] | izp | Atom i index |
[in] | jzp | Atom j index |
[in] | r | Current distance. |
The documentation for this interface was generated from the following file:
- /home/runner/work/tblite/tblite/src/tblite/ncoord/type.f90