(git:c5411e0)
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Container for constraint settings to check consistency of force_evals. More...
Data Fields | |
logical | is_spherical |
logical | is_odd |
logical, dimension(:, :), pointer | sb |
integer | ncdft |
integer | max_nkinds |
integer, dimension(2, 3) | bo |
integer, dimension(:), pointer | grid_span |
integer, dimension(:), pointer | spherical |
integer, dimension(:), pointer | odd |
integer, dimension(:, :), pointer | si |
integer, dimension(:, :), pointer | rs_dims |
integer, dimension(:, :), pointer | atoms |
integer, dimension(:, :), pointer | npts |
real(kind=dp) | radius |
real(kind=dp), dimension(:), pointer | cutoff |
real(kind=dp), dimension(:), pointer | rel_cutoff |
real(kind=dp), dimension(:, :), pointer | sr |
real(kind=dp), dimension(:, :), pointer | coeffs |
real(kind=dp), dimension(:, :), pointer | cutoffs |
real(kind=dp), dimension(:, :), pointer | radii |
Container for constraint settings to check consistency of force_evals.
Definition at line 243 of file mixed_cdft_types.F.
logical mixed_cdft_types::mixed_cdft_settings_type::is_spherical |
Definition at line 244 of file mixed_cdft_types.F.
logical mixed_cdft_types::mixed_cdft_settings_type::is_odd |
Definition at line 244 of file mixed_cdft_types.F.
logical, dimension(:, :), pointer mixed_cdft_types::mixed_cdft_settings_type::sb |
Definition at line 246 of file mixed_cdft_types.F.
integer mixed_cdft_types::mixed_cdft_settings_type::ncdft |
Definition at line 247 of file mixed_cdft_types.F.
integer mixed_cdft_types::mixed_cdft_settings_type::max_nkinds |
Definition at line 247 of file mixed_cdft_types.F.
integer, dimension(2, 3) mixed_cdft_types::mixed_cdft_settings_type::bo |
Definition at line 249 of file mixed_cdft_types.F.
integer, dimension(:), pointer mixed_cdft_types::mixed_cdft_settings_type::grid_span |
Definition at line 250 of file mixed_cdft_types.F.
integer, dimension(:), pointer mixed_cdft_types::mixed_cdft_settings_type::spherical |
Definition at line 250 of file mixed_cdft_types.F.
integer, dimension(:), pointer mixed_cdft_types::mixed_cdft_settings_type::odd |
Definition at line 250 of file mixed_cdft_types.F.
integer, dimension(:, :), pointer mixed_cdft_types::mixed_cdft_settings_type::si |
Definition at line 253 of file mixed_cdft_types.F.
integer, dimension(:, :), pointer mixed_cdft_types::mixed_cdft_settings_type::rs_dims |
Definition at line 253 of file mixed_cdft_types.F.
integer, dimension(:, :), pointer mixed_cdft_types::mixed_cdft_settings_type::atoms |
Definition at line 253 of file mixed_cdft_types.F.
integer, dimension(:, :), pointer mixed_cdft_types::mixed_cdft_settings_type::npts |
Definition at line 253 of file mixed_cdft_types.F.
real(kind=dp) mixed_cdft_types::mixed_cdft_settings_type::radius |
Definition at line 257 of file mixed_cdft_types.F.
real(kind=dp), dimension(:), pointer mixed_cdft_types::mixed_cdft_settings_type::cutoff |
Definition at line 258 of file mixed_cdft_types.F.
real(kind=dp), dimension(:), pointer mixed_cdft_types::mixed_cdft_settings_type::rel_cutoff |
Definition at line 258 of file mixed_cdft_types.F.
real(kind=dp), dimension(:, :), pointer mixed_cdft_types::mixed_cdft_settings_type::sr |
Definition at line 260 of file mixed_cdft_types.F.
real(kind=dp), dimension(:, :), pointer mixed_cdft_types::mixed_cdft_settings_type::coeffs |
Definition at line 260 of file mixed_cdft_types.F.
real(kind=dp), dimension(:, :), pointer mixed_cdft_types::mixed_cdft_settings_type::cutoffs |
Definition at line 260 of file mixed_cdft_types.F.
real(kind=dp), dimension(:, :), pointer mixed_cdft_types::mixed_cdft_settings_type::radii |
Definition at line 260 of file mixed_cdft_types.F.