Read all parameters of one specific GROUP from the sda input file. More...
Functions/Subroutines | |
subroutine | read_group (p_list, keyword, io_unit, been_read) |
Separate cases for reading each GROUP. More... | |
subroutine | extract_key (key, string) |
Extract the keyword from a line. More... | |
subroutine | read_single_parameter (key, string, inp_p_list, param_probe, been_read) |
Read a single parameter. More... | |
subroutine | read_float (buffer, fvalue) |
subroutine | read_double (buffer, dvalue) |
subroutine | read_int (buffer, ivalue) |
subroutine | read_char (buffer, cvalue) |
Read character value in inputfile. | |
subroutine | read_logical (buffer, lvalue) |
subroutine | read_array_char (buffer, cvalue) |
Read a variable number of strings. used only by lennard-jones at hte moment, could extend to box... More... | |
subroutine | count_fields (buffer, counter) |
Read all parameters of one specific GROUP from the sda input file.
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References (see also http://mcm.h-its.org/sda7/doc/doc_sda7/references.html):
Brownian dynamics simulation of protein-protein diffusional encounter.
(1998) Methods, 14, 329-341.
Authors: M.Martinez, N.J.Bruce, J.Romanowska, D.B.Kokh, P.Mereghetti, R.R.Gabdoulline, M. Ozboyaci, S.Richter and R.C.Wade
subroutine extract_key | ( | character( 25 ), intent(out) | key, |
character( 200 ), intent(in) | string | ||
) |
Extract the keyword from a line.
Split every line X = Y
Xould extend to X = Y1 Y2 Y3
string | : the full line |
key | : retrun the extracted keyword |
subroutine read_array_char | ( | character( 200 ) | buffer, |
character, dimension(*), allocatable | cvalue | ||
) |
Read a variable number of strings.
used only by lennard-jones at hte moment, could extend to box...
old bug : crash with portland compiler pgfortran corrected, interface was missing "allocatable"
subroutine read_group | ( | type ( param_list ) | p_list, |
character ( 128 ) | keyword, | ||
integer | io_unit, | ||
logical | been_read | ||
) |
Separate cases for reading each GROUP.
p_list | : instance of param_list |
keyword | : value of the GROUP |
io_unit | : file descriptor of the input file |
been_read | : used to detect misspelling |
subroutine read_single_parameter | ( | character( 25 ), intent(in) | key, |
character( 200 ), intent(in) | string, | ||
type ( param_list ) | inp_p_list, | ||
type ( probe_type ) | param_probe, | ||
logical | been_read | ||
) |
Read a single parameter.
Group in one function the reading of a single parameter, not in a group
do not actually read anything, just assign the correct value
key | : keyword of the parameter |
string | : full line |
inp_p_list | : instance of param_list |
param_probe | : instance of probe_type |
been_read | : used for detecting misspelling |