Define geometric properties of the simulation box. More...
Data Types | |
type | mod_geometry::sphere |
Derived class sphere. More... | |
type | mod_geometry::box |
Derived class box. More... | |
type | mod_geometry::geometry |
geometry is a base (common base ) class More... | |
Modules | |
module | mod_geometry |
Define a base class geometry and derivatives : sphere or box. | |
Functions/Subroutines | |
subroutine | mod_geometry::init_geometry (this, pbc, escape, surface, c_surf, xmin, xmax, ymin, ymax, zmin, zmax, start_pos, record_startpos, min_height, half_sphere) |
Allocate the geometry. More... | |
subroutine | mod_geometry::delete_geometry (this) |
Delete geometry. More... | |
subroutine | mod_geometry::get_parameters (this, params_tmp) |
Get parameters of the geometry object. More... | |
subroutine | mod_geometry::update_translation (this, translation, new_pos, cell) |
Update the translation and apply all border conditions, PBC. Sort of "virtual" function, call the appropiate update of sphere or box. Escape could be checked here. to see later. . More... | |
subroutine | mod_geometry::init_geometry_sphere (this, b_surf, c_surf) |
Create sphere, should be called by geometry. More... | |
subroutine | mod_geometry::get_parameters_sphere (this, param2s) |
Get parameters of the spehere. More... | |
subroutine | mod_geometry::init_geometry_box (this, xmin, xmax, ymin, ymax, zmin, zmax) |
Update translation in case of sphere. More... | |
subroutine | mod_geometry::get_parameters_box (this, params) |
Get parameters in case of box. More... | |
subroutine | mod_geometry::update_translation_box (this, translation, new_pos, pbc, surf, cell) |
Apply the translation with box. Take into account periodicity and surface. More... | |
Variables | |
integer, parameter | mod_geometry::enum_sphere = 1 |
enumeration type More... | |
integer, parameter | mod_geometry::enum_box = 2 |
Define geometric properties of the simulation box.