4
c This software is being made available for internal testing and
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c evaluation purposes only. This software is a pre-release test version
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c which has not yet been authenticated and cleared for publication. Adherence
7
c to this notice may be necessary for the author, Battelle Memorial
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c Institute, to successfully assert copyright in and commercialize this
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c software. This software is not intended for duplication or distribution
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c to third parties without the permission of the Manager of Software
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c Products at Pacific Northwest Laboratory, Richland, Washington, 99352.
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double precision tbeg,wraptime
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c assign atoms to individual molecules
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nrg(6) =esvr + esvd + esvoh + esva
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presf = presf / (xbox * ybox * zbox)
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nrg(15) = presf/ 3.0d00
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tmstat(2) = tmstat(2) + wraptime() - tbeg