4.6.1. curp analyze divide-flux

curp analyze divide-flux [-h] -o OUTPUT_FN [-d DONOR_LINE]
                         [-a ACCEPTOR_LINE] -t DT [-c COLUMN_LINE]
                         flux_fns [flux_fns ...]

Divide the flux data of all into the flux data for each donor and acceptor.

Positional arguments

flux_fns

Specify filenames in order. ex.) flux.dat0001, flux.dat0002, …

Options

-h, –help

Show this help message and exit.

-o OUTPUT_FN, –output-filename OUTPUT_FN

Specify a filename to output.

-d DONOR_LINE, –donor DONOR_LINE (default: None)

Donor names to output to files.

-a ACCEPTOR_LINE, –acceptor ACCEPTOR_LINE

Acceptor names to output to files.

-t DT, –dt DT (default: 1.0)

Time width[ps] per 1 step.

-c COLUMN_LINE, –column COLUMN_LINE (default: None)

Column numbers to output.