Ewald-summed transop generator gengetopt draft.

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Marek Nečada 2019-06-17 12:37:11 +03:00
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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>"
# Options
option "output" o "Output file"
details="Path to the output file. If not specified, print to the standard output."
string
default=""
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
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."
#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"