RMPCDMD
Data Types | Modules | Functions/Subroutines | Variables
common.f90 File Reference

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Data Types

type  common::profile_t
 Container for a profile, e.g. v(x) More...
 
type  common::histogram_t
 Container for a histogram, e.g. p(x) More...
 
type  common::timer_t
 
type  common::timer_pointer_t
 
type  common::timer_list_t
 
interface  common::switch
 
type  common::args_t
 Container for the standard command-line arguments to RMPCDMD. More...
 
type  common::alist_t
 Appendable lists of double precision data. More...
 
type  common::enzyme_kinetics_t
 Container for the list of times for enzymatic kinetics. More...
 

Modules

module  common
 Utility routines.
 

Functions/Subroutines

pure double precision function, dimension(3), public common::rel_pos (x, y, L)
 Return x-y distance with minimum image convention. More...
 
subroutine common::profile_init (this, xmin, xmax, n)
 
subroutine common::profile_bin (this, x, value)
 
subroutine common::profile_reset (this)
 
subroutine common::profile_norm (this)
 
subroutine common::histogram_init (this, xmin, xmax, n, n_species)
 
subroutine common::histogram_bin (this, x, s)
 
subroutine common::switch_d2 (p1, p2)
 
subroutine common::switch_i1 (p1, p2)
 
subroutine common::switch_i2 (p1, p2)
 
character(len=max_path_length) function, public common::get_input_filename ()
 
type(args_t) function, public common::get_input_args ()
 
subroutine common::timer_init (this, name, system_name)
 
subroutine common::tic (this)
 
subroutine common::tac (this)
 
subroutine common::timer_list_init (this, n)
 
subroutine common::timer_list_append (this, timer_target)
 
subroutine common::timer_list_write (this, group, total_out)
 
pure double precision function, dimension(3), public common::cross (x1, x2)
 
subroutine common::alist_init (this, block_size)
 
subroutine common::alist_append (this, value)
 
character(len=:) function, allocatable, public common::numbered_string (base_string, index, length)
 

Variables

integer, parameter common::max_path_length = 255
 
double precision, parameter, public common::pi = 4*atan(1.d0)
 
integer, parameter, public common::reac_bit = 1
 
integer, parameter, public common::md_bit = 2
 
integer, parameter, public common::wall_bit = 3
 
integer, parameter, public common::past_md_bit = 4
 
integer, parameter, public common::outbound_bit = 5
 
integer, parameter, public common::catalyzed_bit = 6
 
integer, parameter, public common::enzyme_region_bit = 7
 
integer, parameter, public common::reac_mask = ibset(0, REAC_BIT)
 
integer, parameter, public common::md_mask = ibset(0, MD_BIT)
 
integer, parameter, public common::wall_mask = ibset(0, WALL_BIT)
 
integer, parameter, public common::catalyzed_mask = ibset(0, CATALYZED_BIT)
 
integer, parameter, public common::enzyme_region_mask = ibset(0, ENZYME_REGION_BIT)