GitHub - andyras/vdw: computes some van der Waals properties of .cube file output from electronic structure

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Name		Name	Last commit message	Last commit date
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build		build
.gitignore		.gitignore
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bq1-homo0-100.cube		bq1-homo0-100.cube
test.cube		test.cube
test.sh		test.sh

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vdw
===

This program computes some van der Waals properties of .cube file output from electronic structure.

vdw can calculate:

1.  The volume of a molecule
2.  The volume of an atom within a molecule (Voronoi partitioning)
3.  The approximate radius of an atom in a molecule