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!! Corresponds to the force field defined in lj_FF.cpp |
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!! @author Charles F. Vardeman II |
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!! @author Matthew Meineke |
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< |
!! @version $Id: lj_FF.F90,v 1.5 2003-03-06 19:57:03 chuckv Exp $, $Date: 2003-03-06 19:57:03 $, $Name: not supported by cvs2svn $, $Revision: 1.5 $ |
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!! @version $Id: lj_FF.F90,v 1.6 2003-03-06 22:08:29 gezelter Exp $, $Date: 2003-03-06 22:08:29 $, $Name: not supported by cvs2svn $, $Revision: 1.6 $ |
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tmpPtrInner%sigma) |
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ljMixed(outerCounter,innerCounter)%sigma2 = & |
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ljMixed(outerCounter,innerCounter)%sigma & |
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* ljMixed(outerCounter,innerCounter)%sigma |
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(ljMixed(outerCounter,innerCounter)%sigma)**2 |
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ljMixed(outerCounter,innerCounter)%sigma6 = & |
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ljMixed(outerCounter,innerCounter)%sigma2 & |
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* ljMixed(outerCounter,innerCounter)%sigma2 & |
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* ljMixed(outerCounter,innerCounter)%sigma2 |
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(ljMixed(outerCounter,innerCounter)%sigma)**6 |
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ljMixed(outerCounter,innerCounter)%epsilon = & |
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calcLJMix("epsilon",tmpPtrOuter%epsilon, & |
