Difference between revisions of "Grace write"
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if not os.path.isdir(OUT): os.makedirs(OUT) | 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) | 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) | ||
| − | + | </source> | |
== In gui == | == In gui == | ||
User functions (a-m) -> write | User functions (a-m) -> write | ||
Leave "The spin ID string" empty, to get spin_id=None. Fill in as above. | Leave "The spin ID string" empty, to get spin_id=None. Fill in as above. | ||
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== See also == | == See also == | ||
[[Category:Results]] | [[Category:Results]] | ||
[[Category:User_functions]] | [[Category:User_functions]] | ||
Revision as of 09:39, 17 June 2013
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 gui
User functions (a-m) -> write Leave "The spin ID string" empty, to get spin_id=None. Fill in as above.
