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Grace write

Revision as of 16:24, 18 November 2015 by Bugman (talk | contribs) (→‎In gui: Better formatting of the section.)
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Manual

For API, see generic_fns.grace and online manual.

r2eff

In relax prompt

import os
OUT = os.path.join(os.getcwd(),'final')
if not os.path.isdir(OUT): os.makedirs(OUT)
grace.write(x_data_type='res_num', y_data_type='r2eff', spin_id=None, plot_data='value', file='r2eff.agr', dir=OUT, force=True, norm=False)

In the GUI

In the menu select User functions (a-m)  → grace  → write
Leave The spin ID string empty, to get spin_id=None. Fill in as above.

See also