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#include <cstdlib> |
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#include "LRI.hpp" |
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#include "simError.h" |
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extern "C" { |
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if( isLJ[i] && isVDW[i+1] ) error = 1; |
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if( error ){ |
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std::cerr << "longRange force error: You cannot mix Lenard-Jones and" |
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<< " \"Exp - r^6\" type interactions\n"; |
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exit(8); |
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sprintf(painCave.errMsg, |
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"longRange force error: You cannot mix Lenard-Jones and" |
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" \"Exp - r^6\" type interactions\n"); |
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painCave.isFatal = 1; |
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simError(); |
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} |
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} |
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/* a little routine to set the rCut, should not exceed half of any |
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/* a little routine to set the rCut, should not exrListceed half of any |
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box length */ |
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rCut = 0.0; |
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if( entry_plug->longRange != NULL ) delete entry_plug->longRange; |
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entry_plug->longRange = this; |
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} |
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AllLong::~AllLong(){ |
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if( isDipole[i] ){ |
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if( !(atoms[i]->isDirectional()) ){ |
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std::cerr << "Something went Horribly wrong!!!!\n" |
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<< "We're all gonna die in here!!!!!!!\n" |
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<< "Oh yeah, by the way, atom " << i |
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<< " somehow thinks it has a dipole,\n" |
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<< "but it isn't a directional atom type.\n"; |
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exit(8); |
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sprintf( painCave.errMsg, |
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"Something went Horribly wrong!!!!\n" |
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"We're all gonna die in here!!!!!!!\n" |
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"Oh yeah, by the way, atom %d" |
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" somehow thinks it has a dipole,\n" |
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"but it isn't a directional atom type.\n", i); |
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painCave.isFatal = 1; |
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simError(); |
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} |
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dAtom = ( DirectionalAtom* )atoms[i]; |
