(git:c5411e0)
|
Data Fields | |
logical | calc_force_pair |
integer | nba |
integer | nbb |
integer | nfa |
integer | nfb |
real(kind=dp) | cond_num |
real(kind=dp), dimension(:, :, :), allocatable | abaint |
real(kind=dp), dimension(:), allocatable | abascr |
real(kind=dp), dimension(:, :, :), allocatable | abbint |
real(kind=dp), dimension(:), allocatable | abbscr |
type(int_container) | cabai |
type(int_container) | cabbi |
real(kind=dp), dimension(:, :, :, :), allocatable | dabdaint |
real(kind=dp), dimension(:, :, :, :), allocatable | dabbint |
real(kind=dp), dimension(:, :), allocatable | soo |
real(kind=dp), dimension(:, :, :), allocatable | dsoo |
real(kind=dp), dimension(:, :), allocatable | sab |
real(kind=dp), dimension(:, :, :), allocatable | dsab |
real(kind=dp), dimension(:, :), pointer | sinv |
real(kind=dp), dimension(:), pointer | n |
real(kind=dp), dimension(:), pointer | sn |
real(kind=dp) | nsn |
logical | lrisr |
logical | lriff |
real(kind=dp) | wsr |
real(kind=dp) | wff |
real(kind=dp) | dwsr |
real(kind=dp) | dwff |
real(kind=dp), dimension(:, :), pointer | asinv |
real(kind=dp), dimension(:, :), pointer | bsinv |
real(kind=dp), dimension(:), pointer | na |
real(kind=dp), dimension(:), pointer | nb |
real(kind=dp), dimension(:), pointer | sna |
real(kind=dp), dimension(:), pointer | snb |
real(kind=dp) | nsna |
real(kind=dp) | nsnb |
real(kind=dp) | dmax_ab |
real(kind=dp) | dmax_oo |
real(kind=dp) | dmax_aba |
real(kind=dp) | dmax_abb |
Definition at line 91 of file lri_environment_types.F.
logical lri_environment_types::lri_int_type::calc_force_pair |
Definition at line 93 of file lri_environment_types.F.
integer lri_environment_types::lri_int_type::nba |
Definition at line 95 of file lri_environment_types.F.
integer lri_environment_types::lri_int_type::nbb |
Definition at line 97 of file lri_environment_types.F.
integer lri_environment_types::lri_int_type::nfa |
Definition at line 99 of file lri_environment_types.F.
integer lri_environment_types::lri_int_type::nfb |
Definition at line 101 of file lri_environment_types.F.
real(kind=dp) lri_environment_types::lri_int_type::cond_num |
Definition at line 103 of file lri_environment_types.F.
real(kind=dp), dimension(:, :, :), allocatable lri_environment_types::lri_int_type::abaint |
Definition at line 105 of file lri_environment_types.F.
real(kind=dp), dimension(:), allocatable lri_environment_types::lri_int_type::abascr |
Definition at line 106 of file lri_environment_types.F.
real(kind=dp), dimension(:, :, :), allocatable lri_environment_types::lri_int_type::abbint |
Definition at line 108 of file lri_environment_types.F.
real(kind=dp), dimension(:), allocatable lri_environment_types::lri_int_type::abbscr |
Definition at line 109 of file lri_environment_types.F.
type(int_container) lri_environment_types::lri_int_type::cabai |
Definition at line 111 of file lri_environment_types.F.
type(int_container) lri_environment_types::lri_int_type::cabbi |
Definition at line 113 of file lri_environment_types.F.
real(kind=dp), dimension(:, :, :, :), allocatable lri_environment_types::lri_int_type::dabdaint |
Definition at line 115 of file lri_environment_types.F.
real(kind=dp), dimension(:, :, :, :), allocatable lri_environment_types::lri_int_type::dabbint |
Definition at line 117 of file lri_environment_types.F.
real(kind=dp), dimension(:, :), allocatable lri_environment_types::lri_int_type::soo |
Definition at line 119 of file lri_environment_types.F.
real(kind=dp), dimension(:, :, :), allocatable lri_environment_types::lri_int_type::dsoo |
Definition at line 121 of file lri_environment_types.F.
real(kind=dp), dimension(:, :), allocatable lri_environment_types::lri_int_type::sab |
Definition at line 123 of file lri_environment_types.F.
real(kind=dp), dimension(:, :, :), allocatable lri_environment_types::lri_int_type::dsab |
Definition at line 125 of file lri_environment_types.F.
real(kind=dp), dimension(:, :), pointer lri_environment_types::lri_int_type::sinv |
Definition at line 127 of file lri_environment_types.F.
real(kind=dp), dimension(:), pointer lri_environment_types::lri_int_type::n |
Definition at line 129 of file lri_environment_types.F.
real(kind=dp), dimension(:), pointer lri_environment_types::lri_int_type::sn |
Definition at line 131 of file lri_environment_types.F.
real(kind=dp) lri_environment_types::lri_int_type::nsn |
Definition at line 133 of file lri_environment_types.F.
logical lri_environment_types::lri_int_type::lrisr |
Definition at line 135 of file lri_environment_types.F.
logical lri_environment_types::lri_int_type::lriff |
Definition at line 136 of file lri_environment_types.F.
real(kind=dp) lri_environment_types::lri_int_type::wsr |
Definition at line 137 of file lri_environment_types.F.
real(kind=dp) lri_environment_types::lri_int_type::wff |
Definition at line 137 of file lri_environment_types.F.
real(kind=dp) lri_environment_types::lri_int_type::dwsr |
Definition at line 137 of file lri_environment_types.F.
real(kind=dp) lri_environment_types::lri_int_type::dwff |
Definition at line 137 of file lri_environment_types.F.
real(kind=dp), dimension(:, :), pointer lri_environment_types::lri_int_type::asinv |
Definition at line 138 of file lri_environment_types.F.
real(kind=dp), dimension(:, :), pointer lri_environment_types::lri_int_type::bsinv |
Definition at line 138 of file lri_environment_types.F.
real(kind=dp), dimension(:), pointer lri_environment_types::lri_int_type::na |
Definition at line 139 of file lri_environment_types.F.
real(kind=dp), dimension(:), pointer lri_environment_types::lri_int_type::nb |
Definition at line 139 of file lri_environment_types.F.
real(kind=dp), dimension(:), pointer lri_environment_types::lri_int_type::sna |
Definition at line 140 of file lri_environment_types.F.
real(kind=dp), dimension(:), pointer lri_environment_types::lri_int_type::snb |
Definition at line 140 of file lri_environment_types.F.
real(kind=dp) lri_environment_types::lri_int_type::nsna |
Definition at line 141 of file lri_environment_types.F.
real(kind=dp) lri_environment_types::lri_int_type::nsnb |
Definition at line 141 of file lri_environment_types.F.
real(kind=dp) lri_environment_types::lri_int_type::dmax_ab |
Definition at line 145 of file lri_environment_types.F.
real(kind=dp) lri_environment_types::lri_int_type::dmax_oo |
Definition at line 147 of file lri_environment_types.F.
real(kind=dp) lri_environment_types::lri_int_type::dmax_aba |
Definition at line 149 of file lri_environment_types.F.
real(kind=dp) lri_environment_types::lri_int_type::dmax_abb |
Definition at line 151 of file lri_environment_types.F.