SDA (SDA flex)  7.2
Simulation of Diffusional Association
Data Types | Functions/Subroutines
genbox_subroutines Module Reference

Module declaration. More...

Data Types

type  genbox_list
 list of variables that have to be included in the input file More...
 

Functions/Subroutines

logical function test_all (vect1, vect2)
 
subroutine set_def_list_values (ll)
 
subroutine read_genbox_input (inputf, ll)
 
subroutine extract_key_value (key, val, string)
 
subroutine get_int_val (string, val)
 
subroutine get_real_val (string, val)
 
subroutine get_logic_val (string, lval)
 
subroutine get_char_arr_val (string, val)
 
subroutine get_real_arr_val (string, val)
 
subroutine wrong_input (msg, sval)
 
subroutine vect_dist_real8 (v1, v2, dist)
 
subroutine rotate (rnd_vec, new_rot, opt_short)
 
subroutine write_init_pos (nb_mol, nb_types, centers, rot)
 
integer function get_mol_type (mols_per_type, max_mol_types, cur_mol)
 
subroutine sort_radius (radius_per_type, nb_types, sorted)
 

Detailed Description

Module declaration.

Function/Subroutine Documentation

◆ extract_key_value()

subroutine genbox_subroutines::extract_key_value ( character( 25 ), intent(out)  key,
character( 1750 ), intent(out)  val,
character( 2000 ), intent(in)  string 
)
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◆ get_char_arr_val()

subroutine genbox_subroutines::get_char_arr_val ( character ( 1750 ), intent(in)  string,
character ( 1750 ), dimension (:)  val 
)
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◆ get_int_val()

subroutine genbox_subroutines::get_int_val ( character ( 1750 ), intent(in)  string,
integer, intent(out)  val 
)
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◆ get_logic_val()

subroutine genbox_subroutines::get_logic_val ( character ( 1750 ), intent(in)  string,
logical, intent(out)  lval 
)
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◆ get_mol_type()

integer function genbox_subroutines::get_mol_type ( integer, dimension( max_mol_types ), intent(in)  mols_per_type,
integer, intent(in)  max_mol_types,
integer, intent(in)  cur_mol 
)
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◆ get_real_arr_val()

subroutine genbox_subroutines::get_real_arr_val ( character ( 1750 ), intent(in)  string,
real ( kind = 8 ), dimension (:), intent(inout)  val 
)
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◆ get_real_val()

subroutine genbox_subroutines::get_real_val ( character ( 1750 ), intent(in)  string,
real ( kind = 8 ), intent(out)  val 
)
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◆ read_genbox_input()

subroutine genbox_subroutines::read_genbox_input ( integer, intent(in)  inputf,
type ( genbox_list ), intent(inout)  ll 
)
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◆ rotate()

subroutine genbox_subroutines::rotate ( real ( kind = 8 ), dimension (:), intent(in)  rnd_vec,
real ( kind = 8 ), dimension (:), intent(inout)  new_rot,
logical, optional  opt_short 
)
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◆ set_def_list_values()

subroutine genbox_subroutines::set_def_list_values ( type ( genbox_list ), intent(inout)  ll)
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◆ sort_radius()

subroutine genbox_subroutines::sort_radius ( real( kind = 8 ), dimension(*), intent(in)  radius_per_type,
integer, intent(in)  nb_types,
integer, dimension(:), intent(inout)  sorted 
)
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◆ test_all()

logical function genbox_subroutines::test_all ( real ( kind = 8 ), dimension (:), intent(in)  vect1,
real ( kind = 8 ), dimension (:), intent(in)  vect2 
)
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◆ vect_dist_real8()

subroutine genbox_subroutines::vect_dist_real8 ( real ( kind = 8 ), dimension (:), intent(in)  v1,
real ( kind = 8 ), dimension (:), intent(in)  v2,
real ( kind = 8 ), intent(out)  dist 
)
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◆ write_init_pos()

subroutine genbox_subroutines::write_init_pos ( integer, intent(in)  nb_mol,
integer, intent(in)  nb_types,
real ( kind = 8 ), dimension (:,:), intent(in)  centers,
real ( kind = 8 ), dimension (:,:), intent(in)  rot 
)
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◆ wrong_input()

subroutine genbox_subroutines::wrong_input ( character ( * ), intent(in)  msg,
character ( * ), intent(in)  sval 
)
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