Difference between revisions of "NWChem output"

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Line 3: Line 3:
 
  |mime=Undefined
 
  |mime=Undefined
 
  |url=http://www.emsl.pnl.gov/docs/nwchem/
 
  |url=http://www.emsl.pnl.gov/docs/nwchem/
  |notes=Import only, One record per input file
+
  |import=Yes, One record per input file
 +
|export=No
 +
|version=All
 +
|dimensionality=3D
 
  |options=
 
  |options=
 
<pre>
 
<pre>

Revision as of 10:40, 30 January 2006

Filename Extensions nwo
Chemical MIME Type Undefined
Specification URL http://www.emsl.pnl.gov/docs/nwchem/
Import Yes, One record per input file
Export No
Open Babel Version All

Options

        Read Options e.g. -as
        s  Output single bonds only
        b  Disable bonding entirely

Additional Comments