(git:c5411e0)
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parameters for core-shell model potentials More...
Data Fields | |
integer | num_mm_atoms |
type(particle_type), dimension(:), pointer | added_particles |
type(particle_type), dimension(:), pointer | added_cores |
integer, dimension(:), pointer | mm_core_index |
real(kind=dp), dimension(:), pointer | mm_core_chrg |
real(kind=dp), dimension(:), pointer | mm_el_pot_radius |
real(kind=dp), dimension(:), pointer | mm_el_pot_radius_corr |
type(qmmm_pot_p_type), dimension(:), pointer | potentials |
type(qmmm_per_pot_p_type), dimension(:), pointer | per_potentials |
type(qmmm_gaussian_p_type), dimension(:), pointer | pgfs |
parameters for core-shell model potentials
Definition at line 162 of file qmmm_types_low.F.
integer qmmm_types_low::add_shell_type::num_mm_atoms |
Definition at line 163 of file qmmm_types_low.F.
type(particle_type), dimension(:), pointer qmmm_types_low::add_shell_type::added_particles |
Definition at line 164 of file qmmm_types_low.F.
type(particle_type), dimension(:), pointer qmmm_types_low::add_shell_type::added_cores |
Definition at line 165 of file qmmm_types_low.F.
integer, dimension(:), pointer qmmm_types_low::add_shell_type::mm_core_index |
Definition at line 166 of file qmmm_types_low.F.
real(kind=dp), dimension(:), pointer qmmm_types_low::add_shell_type::mm_core_chrg |
Definition at line 167 of file qmmm_types_low.F.
real(kind=dp), dimension(:), pointer qmmm_types_low::add_shell_type::mm_el_pot_radius |
Definition at line 168 of file qmmm_types_low.F.
real(kind=dp), dimension(:), pointer qmmm_types_low::add_shell_type::mm_el_pot_radius_corr |
Definition at line 169 of file qmmm_types_low.F.
type(qmmm_pot_p_type), dimension(:), pointer qmmm_types_low::add_shell_type::potentials |
Definition at line 170 of file qmmm_types_low.F.
type(qmmm_per_pot_p_type), dimension(:), pointer qmmm_types_low::add_shell_type::per_potentials |
Definition at line 171 of file qmmm_types_low.F.
type(qmmm_gaussian_p_type), dimension(:), pointer qmmm_types_low::add_shell_type::pgfs |
Definition at line 172 of file qmmm_types_low.F.