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arohl / gdis

A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures
GNU General Public License v2.0
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add constraint on some atoms when generating siesta input files #54

Open Satinelamp opened 2 years ago

Satinelamp commented 2 years ago

Is it possible to add some constraint on some atom coordinates when generating the .fdf file? I'd like to keep some atoms under the surface of a catalyst fixed.