The file types recognized by the program can be obtained by typing the help of the file command.
file-h: syntax:
file-h: fil{e}
file-h: help
file-h: act{ion} = [string] delete:read:write:readwrite
file-h: clo{se} = [boolean]
file-h: for{mat} = [string] binary:(3a..)
file-h: nam{e} = [string]
file-h: pat{h} = [string]
file-h: pos{ition}= [string] asis:rewind:append
file-h: pro{gram} = [string] (interfaced program)
file-h: sta{tus} = [string] replace:new:old:
file-h: tit{le} = [string_with_blanks]
file-h: typ{e} = [string] one among:
file-h: aos Atomic Orbitals
file-h: epfs Elementary Primitive Functions
file-h: jastrow Jastrow Factors Parameters
file-h: mos Molecular Orbitals
file-h: param
file-h: pseudo
file-h: pseudo_SBK
file-h: walkers
file-h: end_fil
file-h: example
file-h: file name = truc.dat type = mos end
file command tokens like : action, format, position, status. follow the open Fortran convention.
The program automatically appends the suffixes -in, -out or -inout to the file type depending on whether the file action token is set to action = read action = write action = readwrite
To see which files are catalogued at a given time, one can use the command show:
show
files = true
end_sho
it gives in the log file:
files_show: catalogued files: files_show: unit # 1 file type >neverused< name >< files_show: unit # 2 file type >err-out< name >qmcmol.err< files_show: unit # 3 file type >neverused< name >< files_show: unit # 4 file type >neverused< name >< files_show: unit # 5 file type >stdin< name >< files_show: unit # 6 file type >stdout< name >< files_show: unit # 7 file type >routines_names-in< name >routines_names.inc< files_show: unit # 8 file type >dependences_list-in< name >routine-routine-depend.inc< files_show: unit # 9 file type >results< name >qmcmol.res< files_show: unit # 10 file type >mos-in< name >he.mos<
This output shows that the units from 1 to 9 are used by the program. Unit 2 is the standard error file automatically named qmcmol.err unit 5 is the standard input file and 6 the standard output. Unit 9 is the results file where pretty output is given. Its name can be modified by:
file name = my_results.res type = results end_fil