Difference between revisions of "Grace write"
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=== r2eff === | === r2eff === | ||
<source lang="python"> | <source lang="python"> | ||
| − | grace.write(x_data_type='res_num', y_data_type='r2eff', spin_id=None, plot_data='value', file='r2eff.agr', dir= | + | 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) | ||
| + | |||
</source> | </source> | ||
Revision as of 09:16, 17 June 2013
Manual
For API, see generic_fns.grace and online manual.
r2eff
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)
