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