qpms/apps/transop-ewald/translations_ewald.ggo

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package "qpms-translations-ewald32"
version "dev"
purpose "Computes Ewald-summed VSWF translation matrix elements in arbitrary 2D-periodic infinite lattices."
#versiontext ""
#args "<command line options>"
args "--file-name=transop_ewald_cmdline"
# Options
option "output" o "Output file"
details="Path to the output file. If not specified, print to the standard output."
string
default=""
optional
option "base-vector" b "Base vector"
details="Single base vector (two numbers separated by comma)"
string
typestr="X,Y"
multiple(2) required # will be multiple(-3) when implemented 1d, 3d
option "error-estimate-output" E "Path to the output with error estimates"
string
optional
option "normalisation" N "VSWF normalisation convention"
values="Power","None","SH" enum
default="Power"
option "csphase" c "Whether the Condon-Shortley phase is included in VSWF definition (-1) or not (+1)"
int
values="+1","-1"
default="-1"
option "Ewald-parameter" e "The value of Ewald parameter η"
double
optional
option "frequency-unit" u "Specifies the frequency unit is used for inputs."
values="eV","scuff" enum
default="scuff"
option "lMax" L "Maximum spherical multipole order to which the translation operator elements are calculated"
int
required
option "refractive-index" n "Medium refractive index"
double
required
option "particle" p "Specify the x and y coordinates of a single particle; If not specified, one particle per unit cell is assumed."
string
typestr="X,Y"
multiple optional
defmode "k_omega_points" modedesc="Specifying each (ω, k) pair separately."
defmode "k_omega_meshgrid" modedesc="Specifying lists of ω and k, from which all possible pairs are generated."
modeoption "pointfile" T "Path to a file containing frequency, k_x, k_y triples\
(separated by white spaces). If not specified, read them from stdin."
mode="k_omega_points"
string
multiple default="-"
modeoption "point" t "Specifies a frequency, k_x, k_y triple, separated by commas."
mode="k_omega_points"
string
typestr="ω,k_x,k_y"
multiple optional
modeoption "omegafile" F "Path to a file containing a list of frequencies\
separated by whitespaces."
mode="k_omega_meshgrid"
string
multiple optional
modeoption "omega" f "Specifies frequency (or multiple frequencies separated by commas) on the command line."
mode="k_omega_meshgrid"
string
typestr="ω1[,ω2[,...]]"
multiple optional
modeoption "kfile" K "Path to a file containing a list of k_x, k_y pairs."
mode="k_omega_meshgrid"
string
multiple optional
default="-"
modeoption "k" k "Specifies pair(s) of k_x, k_y values"
mode="k_omega_meshgrid"
string
typestr="k1_x,k1_y[,k2_x,k2_y[,...]]"
multiple optional
#option <long> <short> "<desc>"
# {details="<detailed description>"}
# {argtype} {typestr="<type descr>"}
# {values="<value1>","<value2>",...}
# {default="<default value>"}
# {dependon="<other option>"}
# {required} {argoptional} {multiple}
# {hidden}
#option <long> <short> "<desc>" flag <on/off>
#section "section name" {sectiondesc="optional section description"}
#text "a textual sentence"