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rgmol 0.1 documentation

Tutorials
rgmol API

Tutorials
rgmol API

Section Navigation

Classes of objects

Extraction from ADF Outputs
Extract Excited States
- extract_molden.extract
- extract_molden.extract_properties
Extract Orca
- extract_orca.extract
- extract_orca.extract_properties
Extraction from Cube files
- extract_cube.extract
- extract_cube.extract_properties

Plotting Methods

Writing Methods
- molecule.write_cube

Set Number of Processors
- rgmol.set_nprocs

Molecular Calculations

rgmol API
Set Number of Processors

Set Number of Processors#

rgmol.set_nprocs

Sets the maximum number of processors that will be used

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