Module grid and charges types
Writen long time ago, convenient in force, but could evolve.
More...
Public Member Functions | |
subroutine | print_gridtype (t_grid) |
Print the name of the grid given its number. | |
integer function | get_nb_gridtype (name) |
Get the grid number given its name. More... | |
integer function | get_sizeof_sgrid () |
function could be in mod_setofgrid not really used | |
subroutine | print_analyticaltype (code_anal) |
Print the name of the grid given its number. | |
integer function | get_nb_analyticaltype (name) |
Get the grid number given its name. More... | |
integer function | get_sizeof_analytic_grid () |
function could be in mod_setofgrid not really used | |
Public Attributes | |
integer, parameter | electro =1 |
integer, parameter | desolv =2 |
integer, parameter | hydrophob =3 |
integer, parameter | repulsive_lj =4 |
integer, parameter | lennardjones =5 |
integer, dimension(12) | enum_grid_types = [electro,desolv,hydrophob,repulsive_lj,lennardjones, image_charge, metal_desolv, exclusion,accessibility,list_surfatom, charge, charge_square] |
integer, parameter | debyeh =-1 |
integer, parameter | other =-2 |
integer, dimension(2) | enum_analytic_types = [debyeh, other] |
integer | enum_grid_force_calc = 5 |
only the first enum_grid_force_calc are used for force and energies computation | |
Module grid and charges types
Writen long time ago, convenient in force, but could evolve.
integer function mod_gridtype::get_nb_analyticaltype | ( | character, dimension(*), intent(in) | name | ) |
Get the grid number given its name.
Do not enter this function with gdb (in eclipse at least), bug because of name*(*) !!
integer function mod_gridtype::get_nb_gridtype | ( | character, dimension(*), intent(in) | name | ) |
Get the grid number given its name.
Do not enter this function with gdb (in eclipse at least), bug because of name*(*) !!