# | Line 27 | Line 27 | void ForceFields::calcRcut( void ){ | |
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27 | //calc rCut and rList | |
28 | ||
29 | entry_plug->setRcut( 2.5 * bigSigma ); | |
30 | + | |
31 | } | |
32 | ||
33 | void ForceFields::doForces( int calcPot, int calcStress ){ | |
# | Line 37 | Line 38 | void ForceFields::doForces( int calcPot, int calcStres | |
38 | double* trq; | |
39 | double* A; | |
40 | double* u_l;; | |
40 | – | DirectionalAtom* dAtom; |
41 | SimState* config; | |
42 | ||
43 | short int passedCalcPot = (short int)calcPot; |
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