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!! @author Charles F. Vardeman II |
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!! @author Matthew Meineke |
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< |
!! @version $Id: doForces.F90,v 1.74 2005-12-30 23:15:59 chuckv Exp $, $Date: 2005-12-30 23:15:59 $, $Name: not supported by cvs2svn $, $Revision: 1.74 $ |
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!! @version $Id: doForces.F90,v 1.77 2006-04-16 02:51:16 chrisfen Exp $, $Date: 2006-04-16 02:51:16 $, $Name: not supported by cvs2svn $, $Revision: 1.77 $ |
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module doForces |
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use eam |
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use suttonchen |
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use status |
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use interpolation |
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#ifdef IS_MPI |
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use mpiSimulation |
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#endif |
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call handleError("setCutoffs", errMsg) |
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end if |
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call set_switch(GROUP_SWITCH, defaultRsw, defaultRcut) |
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call setHmatDangerousRcutValue(defaultRcut) |
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haveDefaultCutoffs = .true. |
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haveGtypeCutoffMap = .false. |
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SIM_requires_postpair_calc = SimRequiresPostpairCalc() |
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SIM_requires_prepair_calc = SimRequiresPrepairCalc() |
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SIM_uses_PBC = SimUsesPBC() |
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SIM_uses_SC = SimUsesSC() |
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haveSIMvariables = .true. |
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if (VisitCutoffsAfterComputing) then |
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call set_switch(GROUP_SWITCH, largestRcut, largestRcut) |
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call setHmatDangerousRcutValue(largestRcut) |
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endif |
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