version 1.1473 | version 1.1474 |
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/***************************************************************************** | /***************************************************************************** |
* $Source: /home/cvs/namd/cvsroot/namd2/src/SimParameters.C,v $ | * $Source: /home/cvs/namd/cvsroot/namd2/src/SimParameters.C,v $ |
* $Author: jim $ | * $Author: jim $ |
* $Date: 2016/10/30 22:50:02 $ | * $Date: 2016/11/07 20:26:15 $ |
* $Revision: 1.1473 $ | * $Revision: 1.1474 $ |
*****************************************************************************/ | *****************************************************************************/ |
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/** \file SimParameters.C | /** \file SimParameters.C |
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opts.range("alchVdwLambdaEnd", NOT_NEGATIVE); | opts.range("alchVdwLambdaEnd", NOT_NEGATIVE); |
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opts.optional("alch", "alchBondLambdaEnd", "Lambda at which bonded" | opts.optional("alch", "alchBondLambdaEnd", "Lambda at which bonded" |
"scaling of exnihilated particles begins", &alchBondLambdaEnd, 1.0); | "scaling of exnihilated particles begins", &alchBondLambdaEnd, 0.0); |
opts.range("alchBondLambdaEnd", NOT_NEGATIVE); | opts.range("alchBondLambdaEnd", NOT_NEGATIVE); |
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opts.optionalB("alch", "alchDecouple", "Enable alchemical decoupling?", | opts.optionalB("alch", "alchDecouple", "Enable alchemical decoupling?", |