batch

Tools for parameter studies. See Parameter studies.

Calculation([machine, templates, params, ...])

Represent a single calculation.

Case(**kwds)

General purpose container class, supporting only keywords in the constructor.

FileTemplate([basename, txt, keys, ...])

Class to represent a template file in parameter studies.

Machine([hostname, subcmd, scratch, home, ...])

Container for machine-specific stuff.

ParameterStudy([machines, templates, ...])

Class to represent a parameter study (a number of Calculations, based on template files).

conv_table(xx, yy[, ffmt, sfmt, mode, orig, ...])

Convergence table. Assume that quantity xx was varied, resulting in yy values. Return a string (table) listing::.

default_repl_keys()

Return a dict of default keys for replacement in a ParameterStudy.