Derived Types

TypeLocationExtendsDescription
fmm_tree_typemod_treeNone

Data structore to represent the tree for storing sources and targets of the fmm problem

fmm_typemod_fmmNone
ommp_bonded_typemod_bondedNone
ommp_electrostatics_typemod_electrostaticsNone
ommp_link_atom_typemod_link_atomNone
ommp_neigh_listmod_neighbor_listNone
ommp_nonbonded_typemod_nonbondedNone

Derived type for storing the information relative to the calculation of non-bonding interactions

ommp_qm_helpermod_qm_helperNone
ommp_systemmod_mmpolNone
ommp_topology_typemod_topologyNone
yale_sparsemod_adjacency_matNone

Describe a square boolean sparse matrix n x n.
Indices of non-zero elements in the i-th row are contained in the array ci(ri(i):ri(i+1)).

type~~graph~~TypeGraph type~ommp_bonded_type ommp_bonded_type type~ommp_topology_type ommp_topology_type type~ommp_bonded_type->type~ommp_topology_type top type~ommp_electrostatics_type ommp_electrostatics_type type~ommp_electrostatics_type->type~ommp_topology_type top type~yale_sparse yale_sparse type~ommp_electrostatics_type->type~yale_sparse polgrp_mmat, pg_conn, fmm_near_field_list, list_S_S, list_P_P, list_S_P_P, list_S_P_D, list_S_S_fmm_far, list_P_P_fmm_far, list_S_P_P_fmm_far, list_S_P_D_fmm_far type~fmm_tree_type fmm_tree_type type~ommp_electrostatics_type->type~fmm_tree_type tree type~fmm_type fmm_type type~ommp_electrostatics_type->type~fmm_type fmm_static, fmm_ipd type~ommp_nonbonded_type ommp_nonbonded_type type~ommp_nonbonded_type->type~ommp_topology_type top type~ommp_neigh_list ommp_neigh_list type~ommp_nonbonded_type->type~ommp_neigh_list nl type~ommp_topology_type->type~yale_sparse conn type~ommp_neigh_list->type~yale_sparse c2p type~ommp_link_atom_type ommp_link_atom_type type~ommp_link_atom_type->type~ommp_bonded_type bds type~ommp_link_atom_type->type~ommp_topology_type mmtop, qmtop, qmmmtop type~ommp_qm_helper ommp_qm_helper type~ommp_qm_helper->type~ommp_nonbonded_type qm_vdw type~ommp_qm_helper->type~ommp_topology_type qm_top type~fmm_tree_type->type~yale_sparse level_list, particle_list, near_nl, far_nl type~fmm_type->type~fmm_tree_type tree type~ommp_system ommp_system type~ommp_system->type~ommp_bonded_type bds type~ommp_system->type~ommp_electrostatics_type eel type~ommp_system->type~ommp_nonbonded_type vdw type~ommp_system->type~ommp_topology_type top type~ommp_system->type~ommp_link_atom_type la
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