Octopus
Private Attributes | List of all members
pcm_oct_m::pcm_sphere_t Type Reference

The cavity hosting the solute molecule is built from a set of interlocking spheres with optimized radii centered at the nuclear positions. More...

Detailed Description

The cavity hosting the solute molecule is built from a set of interlocking spheres with optimized radii centered at the nuclear positions.

Definition at line 175 of file pcm.F90.

Private Attributes

real(real64) x
 
real(real64) y
 center of the sphere More...
 
real(real64) z
 
real(real64) r
 radius of the sphere (different for each species) More...
 

Member Data Documentation

◆ x

real(real64) pcm_oct_m::pcm_sphere_t::x
private

Definition at line 177 of file pcm.F90.

◆ y

real(real64) pcm_oct_m::pcm_sphere_t::y
private

center of the sphere

Definition at line 178 of file pcm.F90.

◆ z

real(real64) pcm_oct_m::pcm_sphere_t::z
private

Definition at line 179 of file pcm.F90.

◆ r

real(real64) pcm_oct_m::pcm_sphere_t::r
private

radius of the sphere (different for each species)

Definition at line 180 of file pcm.F90.

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