topology_generate_util.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	topology_generate_util
	Collection of subroutine needed for topology related things.

Functions/Subroutines
subroutine, public	topology_generate_util::topology_generate_molname (conn_info, natom, natom_prev, nbond_prev, id_molname)
	Generates molnames: useful when the connectivity on file does not provide them. More...
subroutine, public	topology_generate_util::topology_generate_molecule (topology, qmmm, qmmm_env, subsys_section)
	Use information from bond list to generate molecule. (ie clustering) More...
subroutine, public	topology_generate_util::topology_generate_bond (topology, para_env, subsys_section)
	Use info from periodic table and assumptions to generate bonds. More...
subroutine, public	topology_generate_util::topology_generate_bend (topology, subsys_section)
	Using a list of bonds, generate a list of bends. More...
subroutine, public	topology_generate_util::topology_generate_ub (topology, subsys_section)
	The list of Urey-Bradley is equal to the list of bends. More...
subroutine, public	topology_generate_util::topology_generate_dihe (topology, subsys_section)
	Generate a list of torsions from bonds. More...
subroutine, public	topology_generate_util::topology_generate_impr (topology, subsys_section)
	Using a list of bends, generate a list of impr. More...
subroutine, public	topology_generate_util::topology_generate_onfo (topology, subsys_section)
	Using a list of torsion, generate a list of onfo. More...