ddx 1.0.0
Libary for domain-decomposition methods for polarizable continuum models
Public Attributes | List of all members
ddx_constants::ddx_switching_type Type Reference

Public Attributes

integer ncav
 
real(dp), dimension(:,:), allocatable u_ni
 Characteristic function U, 1 if exposed, 0 if buried, with a smooth switching in between. More...
 
real(dp), dimension(:), allocatable u_i_cav
 Characteristic function U, only at the points where it is different from zero. More...
 
real(dp), dimension(:,:), allocatable d_ni
 Auxiliary function d, for the construction of U and omega. More...
 
real(dp), dimension(:,:), allocatable f_ni
 Auxiliary function f, for the construction of U and omega. More...
 
real(dp), dimension(:,:,:), allocatable grad_u_ni
 Diagonal derivative of the characteristic function U \grad_i U_i. The off diagonal case \grad_i U_j is not precomputed. More...
 
real(dp), dimension(:,:), allocatable dr_u_ni
 

Detailed Description

Definition at line 26 of file ddx_constants.f90.

Member Data Documentation

◆ ncav

integer ddx_constants::ddx_switching_type::ncav

Definition at line 27 of file ddx_constants.f90.

◆ u_ni

real(dp), dimension(:,:), allocatable ddx_constants::ddx_switching_type::u_ni

Characteristic function U, 1 if exposed, 0 if buried, with a smooth switching in between.

Definition at line 30 of file ddx_constants.f90.

◆ u_i_cav

real(dp), dimension(:), allocatable ddx_constants::ddx_switching_type::u_i_cav

Characteristic function U, only at the points where it is different from zero.

Definition at line 33 of file ddx_constants.f90.

◆ d_ni

real(dp), dimension(:,:), allocatable ddx_constants::ddx_switching_type::d_ni

Auxiliary function d, for the construction of U and omega.

Definition at line 35 of file ddx_constants.f90.

◆ f_ni

real(dp), dimension(:,:), allocatable ddx_constants::ddx_switching_type::f_ni

Auxiliary function f, for the construction of U and omega.

Definition at line 37 of file ddx_constants.f90.

◆ grad_u_ni

real(dp), dimension(:,:,:), allocatable ddx_constants::ddx_switching_type::grad_u_ni

Diagonal derivative of the characteristic function U \grad_i U_i. The off diagonal case \grad_i U_j is not precomputed.

Definition at line 40 of file ddx_constants.f90.

◆ dr_u_ni

real(dp), dimension(:,:), allocatable ddx_constants::ddx_switching_type::dr_u_ni

Definition at line 41 of file ddx_constants.f90.

The documentation for this type was generated from the following file: