atomes 1.1.14
atomes: an atomic scale modeling tool box
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Fragment(s) and molecule(s) analysis. More...
Go to the source code of this file.
Functions/Subroutines | |
logical function | add_mol (this_mol, mol_id, step_id) |
logical function | add_ato (this_mol, atom_id) |
recursive subroutine | setmol (this_mol, toglin, stmb, molcount, the_step, the_atom, the_id) |
integer(kind=c_int) function | molecules (frag_and_mol, allbonds) |
Fragment(s) and molecule(s) analysis.
Definition in file molecules.F90.
logical function add_ato | ( | type (mol), intent(inout), pointer | this_mol, |
integer, intent(in) | atom_id ) |
Definition at line 64 of file molecules.F90.
logical function add_mol | ( | type (mol), intent(inout), pointer | this_mol, |
integer, intent(in) | mol_id, | ||
integer, intent(in) | step_id ) |
Definition at line 21 of file molecules.F90.
integer (kind=c_int) function molecules | ( | integer (kind=c_int), intent(in) | frag_and_mol, |
integer (kind=c_int), intent(in) | allbonds ) |
Definition at line 154 of file molecules.F90.
recursive subroutine setmol | ( | type (mol), intent(inout), pointer | this_mol, |
integer, dimension(na), intent(inout) | toglin, | ||
integer, intent(inout) | stmb, | ||
integer, intent(inout) | molcount, | ||
integer, intent(in) | the_step, | ||
integer, intent(in) | the_atom, | ||
integer, intent(in) | the_id ) |
Definition at line 92 of file molecules.F90.