(git:3add494)
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Data Fields | |
logical | hbonds_restraint |
real(kind=dp) | hbonds_k0 |
integer | nfixed_atoms |
integer, dimension(:), pointer | fixed_atoms |
integer, dimension(:), pointer | fixed_type |
integer, dimension(:), pointer | fixed_mol_type |
logical, dimension(:), pointer | fixed_restraint |
real(kind=dp), dimension(:), pointer | fixed_k0 |
integer | freeze_qm |
integer | freeze_mm |
integer | freeze_qm_type |
integer | freeze_mm_type |
logical | fixed_mm_restraint |
logical | fixed_qm_restraint |
real(kind=dp) | fixed_mm_k0 |
real(kind=dp) | fixed_qm_k0 |
logical, dimension(:), pointer | fixed_mol_restraint |
real(kind=dp), dimension(:), pointer | fixed_mol_k0 |
character(len=default_string_length), dimension(:), pointer | fixed_molnames |
logical, dimension(:), pointer | fixed_exclude_qm |
logical, dimension(:), pointer | fixed_exclude_mm |
integer | nconst_colv |
integer, dimension(:), pointer | const_colv_mol |
character(len=default_string_length), dimension(:), pointer | const_colv_molname |
real(kind=dp), dimension(:), pointer | const_colv_target |
real(kind=dp), dimension(:), pointer | const_colv_target_growth |
type(colvar_p_type), dimension(:), pointer | colvar_set |
logical, dimension(:), pointer | colv_intermolecular |
logical, dimension(:), pointer | colv_restraint |
real(kind=dp), dimension(:), pointer | colv_k0 |
logical, dimension(:), pointer | colv_exclude_qm |
logical, dimension(:), pointer | colv_exclude_mm |
integer | nconst_g33 |
integer, dimension(:), pointer | const_g33_mol |
character(len=default_string_length), dimension(:), pointer | const_g33_molname |
integer, dimension(:), pointer | const_g33_a |
integer, dimension(:), pointer | const_g33_b |
integer, dimension(:), pointer | const_g33_c |
real(kind=dp), dimension(:), pointer | const_g33_dab |
real(kind=dp), dimension(:), pointer | const_g33_dac |
real(kind=dp), dimension(:), pointer | const_g33_dbc |
logical, dimension(:), pointer | g33_intermolecular |
logical, dimension(:), pointer | g33_restraint |
real(kind=dp), dimension(:), pointer | g33_k0 |
logical, dimension(:), pointer | g33_exclude_qm |
logical, dimension(:), pointer | g33_exclude_mm |
integer | nconst_g46 |
integer, dimension(:), pointer | const_g46_mol |
character(len=default_string_length), dimension(:), pointer | const_g46_molname |
integer, dimension(:), pointer | const_g46_a |
integer, dimension(:), pointer | const_g46_b |
integer, dimension(:), pointer | const_g46_c |
integer, dimension(:), pointer | const_g46_d |
real(kind=dp), dimension(:), pointer | const_g46_dab |
real(kind=dp), dimension(:), pointer | const_g46_dac |
real(kind=dp), dimension(:), pointer | const_g46_dbc |
real(kind=dp), dimension(:), pointer | const_g46_dad |
real(kind=dp), dimension(:), pointer | const_g46_dbd |
real(kind=dp), dimension(:), pointer | const_g46_dcd |
logical, dimension(:), pointer | g46_intermolecular |
logical, dimension(:), pointer | g46_restraint |
real(kind=dp), dimension(:), pointer | g46_k0 |
logical, dimension(:), pointer | g46_exclude_qm |
logical, dimension(:), pointer | g46_exclude_mm |
integer | nconst_vsite |
integer, dimension(:), pointer | const_vsite_mol |
character(len=default_string_length), dimension(:), pointer | const_vsite_molname |
integer, dimension(:), pointer | const_vsite_a |
integer, dimension(:), pointer | const_vsite_b |
integer, dimension(:), pointer | const_vsite_c |
integer, dimension(:), pointer | const_vsite_d |
real(kind=dp), dimension(:), pointer | const_vsite_wbc |
real(kind=dp), dimension(:), pointer | const_vsite_wdc |
logical, dimension(:), pointer | vsite_intermolecular |
logical, dimension(:), pointer | vsite_restraint |
real(kind=dp), dimension(:), pointer | vsite_k0 |
logical, dimension(:), pointer | vsite_exclude_qm |
logical, dimension(:), pointer | vsite_exclude_mm |
Definition at line 64 of file topology_types.F.
logical topology_types::constraint_info_type::hbonds_restraint |
Definition at line 66 of file topology_types.F.
real(kind=dp) topology_types::constraint_info_type::hbonds_k0 |
Definition at line 67 of file topology_types.F.
integer topology_types::constraint_info_type::nfixed_atoms |
Definition at line 69 of file topology_types.F.
integer, dimension(:), pointer topology_types::constraint_info_type::fixed_atoms |
Definition at line 70 of file topology_types.F.
integer, dimension(:), pointer topology_types::constraint_info_type::fixed_type |
Definition at line 70 of file topology_types.F.
integer, dimension(:), pointer topology_types::constraint_info_type::fixed_mol_type |
Definition at line 70 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::fixed_restraint |
Definition at line 71 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::fixed_k0 |
Definition at line 72 of file topology_types.F.
integer topology_types::constraint_info_type::freeze_qm |
Definition at line 74 of file topology_types.F.
integer topology_types::constraint_info_type::freeze_mm |
Definition at line 74 of file topology_types.F.
integer topology_types::constraint_info_type::freeze_qm_type |
Definition at line 74 of file topology_types.F.
integer topology_types::constraint_info_type::freeze_mm_type |
Definition at line 74 of file topology_types.F.
logical topology_types::constraint_info_type::fixed_mm_restraint |
Definition at line 75 of file topology_types.F.
logical topology_types::constraint_info_type::fixed_qm_restraint |
Definition at line 75 of file topology_types.F.
real(kind=dp) topology_types::constraint_info_type::fixed_mm_k0 |
Definition at line 76 of file topology_types.F.
real(kind=dp) topology_types::constraint_info_type::fixed_qm_k0 |
Definition at line 76 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::fixed_mol_restraint |
Definition at line 78 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::fixed_mol_k0 |
Definition at line 79 of file topology_types.F.
character(len=default_string_length), dimension(:), pointer topology_types::constraint_info_type::fixed_molnames |
Definition at line 80 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::fixed_exclude_qm |
Definition at line 81 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::fixed_exclude_mm |
Definition at line 81 of file topology_types.F.
integer topology_types::constraint_info_type::nconst_colv |
Definition at line 83 of file topology_types.F.
integer, dimension(:), pointer topology_types::constraint_info_type::const_colv_mol |
Definition at line 84 of file topology_types.F.
character(len=default_string_length), dimension(:), pointer topology_types::constraint_info_type::const_colv_molname |
Definition at line 85 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::const_colv_target |
Definition at line 86 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::const_colv_target_growth |
Definition at line 87 of file topology_types.F.
type(colvar_p_type), dimension(:), pointer topology_types::constraint_info_type::colvar_set |
Definition at line 88 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::colv_intermolecular |
Definition at line 89 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::colv_restraint |
Definition at line 90 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::colv_k0 |
Definition at line 91 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::colv_exclude_qm |
Definition at line 92 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::colv_exclude_mm |
Definition at line 92 of file topology_types.F.
integer topology_types::constraint_info_type::nconst_g33 |
Definition at line 94 of file topology_types.F.
integer, dimension(:), pointer topology_types::constraint_info_type::const_g33_mol |
Definition at line 95 of file topology_types.F.
character(len=default_string_length), dimension(:), pointer topology_types::constraint_info_type::const_g33_molname |
Definition at line 96 of file topology_types.F.
integer, dimension(:), pointer topology_types::constraint_info_type::const_g33_a |
Definition at line 97 of file topology_types.F.
integer, dimension(:), pointer topology_types::constraint_info_type::const_g33_b |
Definition at line 98 of file topology_types.F.
integer, dimension(:), pointer topology_types::constraint_info_type::const_g33_c |
Definition at line 99 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::const_g33_dab |
Definition at line 100 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::const_g33_dac |
Definition at line 101 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::const_g33_dbc |
Definition at line 102 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::g33_intermolecular |
Definition at line 103 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::g33_restraint |
Definition at line 104 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::g33_k0 |
Definition at line 105 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::g33_exclude_qm |
Definition at line 106 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::g33_exclude_mm |
Definition at line 106 of file topology_types.F.
integer topology_types::constraint_info_type::nconst_g46 |
Definition at line 108 of file topology_types.F.
integer, dimension(:), pointer topology_types::constraint_info_type::const_g46_mol |
Definition at line 109 of file topology_types.F.
character(len=default_string_length), dimension(:), pointer topology_types::constraint_info_type::const_g46_molname |
Definition at line 110 of file topology_types.F.
integer, dimension(:), pointer topology_types::constraint_info_type::const_g46_a |
Definition at line 111 of file topology_types.F.
integer, dimension(:), pointer topology_types::constraint_info_type::const_g46_b |
Definition at line 112 of file topology_types.F.
integer, dimension(:), pointer topology_types::constraint_info_type::const_g46_c |
Definition at line 113 of file topology_types.F.
integer, dimension(:), pointer topology_types::constraint_info_type::const_g46_d |
Definition at line 114 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::const_g46_dab |
Definition at line 115 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::const_g46_dac |
Definition at line 116 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::const_g46_dbc |
Definition at line 117 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::const_g46_dad |
Definition at line 118 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::const_g46_dbd |
Definition at line 119 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::const_g46_dcd |
Definition at line 120 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::g46_intermolecular |
Definition at line 121 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::g46_restraint |
Definition at line 122 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::g46_k0 |
Definition at line 123 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::g46_exclude_qm |
Definition at line 124 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::g46_exclude_mm |
Definition at line 124 of file topology_types.F.
integer topology_types::constraint_info_type::nconst_vsite |
Definition at line 126 of file topology_types.F.
integer, dimension(:), pointer topology_types::constraint_info_type::const_vsite_mol |
Definition at line 127 of file topology_types.F.
character(len=default_string_length), dimension(:), pointer topology_types::constraint_info_type::const_vsite_molname |
Definition at line 128 of file topology_types.F.
integer, dimension(:), pointer topology_types::constraint_info_type::const_vsite_a |
Definition at line 129 of file topology_types.F.
integer, dimension(:), pointer topology_types::constraint_info_type::const_vsite_b |
Definition at line 130 of file topology_types.F.
integer, dimension(:), pointer topology_types::constraint_info_type::const_vsite_c |
Definition at line 131 of file topology_types.F.
integer, dimension(:), pointer topology_types::constraint_info_type::const_vsite_d |
Definition at line 132 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::const_vsite_wbc |
Definition at line 133 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::const_vsite_wdc |
Definition at line 134 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::vsite_intermolecular |
Definition at line 135 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::vsite_restraint |
Definition at line 136 of file topology_types.F.
real(kind=dp), dimension(:), pointer topology_types::constraint_info_type::vsite_k0 |
Definition at line 137 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::vsite_exclude_qm |
Definition at line 138 of file topology_types.F.
logical, dimension(:), pointer topology_types::constraint_info_type::vsite_exclude_mm |
Definition at line 138 of file topology_types.F.