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Outp section is introduced using the %outp directive. Default names of output files are constructed using the name of the calculation (-n command line switch) and the respective suffix (-gr.dat, -gamma.dat, …). When the calculation name is not given, then the default name of pyoz is used, leading to pyoz-gr.dat, pyoz-gamma.dat and so on.

%outp
  gamma_write
  gamma_name    test-gamma.new
  gamma_freq    25
  gamma_binary
  #gamma_text
 
  gr_write
  gr_name       test-gr.dat

  cr_write
  cr_name       test-cr.dat

  sk_write
  sk_name       test-sk.dat

  ur_write
  ur_name       test-ur.dat

  urtot_write
  urtot_name    test-urtot.dat
%end

In the outp section, the statements/keywords described in the following text are valid. The list is sorted alphabetically.

cr_name cr_filename

Name of the file where the c(r) should be stored.
default: pyoz-cr.dat
allowed values: any valid file name

cr_write

Switch specifying whether the c(r)s should be written. Note that specifying cr_name enables this as well.
default: disabled
allowed values: none

gamma_binary / gamma_text

Switch specifying whether binary or text Gamma function output should be done.
default: gamma_binary
allowed values: none

gamma_freq gamma_freq_value

Defines how frequently (in iterations) should the (short-ranged) Gamma function be written to a file. Zero disables writing the function in the course of the iteration procedure. At the end of the calculation, (short-ranged) Gamma function is always written.
default: 25
allowed values: nonnegative integer

gamma_name gamma_filename

Name of the file where the (short-ranged) Gamma function should be stored.
default: pyoz-gamma.dat
allowed values: any valid file name

gamma_text

See gamma_binary / gamma_text

gamma_write

Switch specifying whether the (short-ranged) Gamma function should be written. Note that specifying gamma_freq or gamma_name enables this as well.
default: disabled
allowed values: none

gr_name gr_filename

Name of the file where the g(r) should be stored. Pair correlation functions are always written at the end of the calculation.
default: pyoz-gr.dat
allowed values: any valid file name

gr_write

Switch specifying whether the g(r)s should be written. Note that specifying gr_name enables this as well.
default: disabled
allowed values: none

sk_name sk_filename

Name of the file where the partial structure factors S(k) should be stored.
default: pyoz-sk.dat
allowed values: any valid file name

sk_write

Switch specifying whether the partial structure factors S(k) should be written. Note that specifying sk_name enables this as well.
default: disabled
allowed values: none

ur_name ur_filename

Name of the file where the total interaction potential should be stored. The potential is written only when this keyword or ur_write is given.
default: pyoz-ur.dat
allowed values: any valid file name

ur_write

Switch specifying whether the interaction potential function should be written. Note that specifying ur_name enables this as well.
default: disabled
allowed values: none

urtot_name urtot_filename

Name of the file where the total interaction potential plus the (long-ranged) gamma function should be stored. file is written only when this keyword or urtot_write is given.
default: pyoz-urtot.dat
allowed values: any valid file name

urtot_write

Switch specifying whether the interaction potential function plus the (long-ranged) gamma function should be written. Note that specifying urtot_name enables this as well.
default: disabled
allowed values: none


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