mod_gridtype Module Reference

Module grid and charges types
Writen long time ago, convenient in force, but could evolve. More...

Functions/Subroutines
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.
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.
integer function	get_sizeof_analytic_grid ()
	function could be in mod_setofgrid not really used

Variables
integer, parameter	electro =1
integer, parameter	desolv =2
integer, parameter	hydrophob =3
integer, parameter	repulsive_lj =4
integer, parameter	lennardjones =5
integer, parameter	image_charge = 6
integer, parameter	metal_desolv = 7
integer, parameter	exclusion =8
integer, parameter	accessibility =9
integer, parameter	list_surfatom =10
integer, parameter	charge =11
integer, parameter	charge_square =12
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

Detailed Description

Module grid and charges types
Writen long time ago, convenient in force, but could evolve.

Function/Subroutine Documentation

get_nb_analyticaltype()

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*(*) !!

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get_nb_gridtype()

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*(*) !!

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get_sizeof_analytic_grid()

integer function mod_gridtype::get_sizeof_analytic_grid

function could be in mod_setofgrid
not really used

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get_sizeof_sgrid()

integer function mod_gridtype::get_sizeof_sgrid

function could be in mod_setofgrid
not really used

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print_analyticaltype()

subroutine mod_gridtype::print_analyticaltype

(

integer, intent(in)

code_anal

)

Print the name of the grid given its number.

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print_gridtype()

subroutine mod_gridtype::print_gridtype

(

integer, intent(in)

t_grid

)

Print the name of the grid given its number.

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Variable Documentation

accessibility

integer, parameter mod_gridtype::accessibility =9

charge

integer, parameter mod_gridtype::charge =11

charge_square

integer, parameter mod_gridtype::charge_square =12

debyeh

integer, parameter mod_gridtype::debyeh =-1

desolv

integer, parameter mod_gridtype::desolv =2

electro

integer, parameter mod_gridtype::electro =1

enum_analytic_types

integer, dimension(2) mod_gridtype::enum_analytic_types = [debyeh, other]

enum_grid_force_calc

integer mod_gridtype::enum_grid_force_calc = 5

only the first enum_grid_force_calc are used for force and energies computation

enum_grid_types

integer, dimension(12) mod_gridtype::enum_grid_types = [electro,desolv,hydrophob,repulsive_lj,lennardjones, image_charge, metal_desolv, exclusion,accessibility,list_surfatom, charge, charge_square]

exclusion

integer, parameter mod_gridtype::exclusion =8

hydrophob

integer, parameter mod_gridtype::hydrophob =3

image_charge

integer, parameter mod_gridtype::image_charge = 6

lennardjones

integer, parameter mod_gridtype::lennardjones =5

list_surfatom

integer, parameter mod_gridtype::list_surfatom =10

metal_desolv

integer, parameter mod_gridtype::metal_desolv = 7

other

integer, parameter mod_gridtype::other =-2

repulsive_lj

integer, parameter mod_gridtype::repulsive_lj =4