--- trunk/OOPSE/libmdtools/NPTxyz.cpp 2003/11/06 22:01:37 855 +++ trunk/OOPSE/libmdtools/NPTxyz.cpp 2003/11/07 17:09:48 857 @@ -116,9 +116,8 @@ template void NPTxyz::getVelScaleA(doub } } -template void NPTxyz::getVelScaleA(double sc[3], double vel[3]) { +template void NPTxyz::calcVelScale(void) { int i,j; - double vScale[3][3]; for (i = 0; i < 3; i++ ) { for (j = 0; j < 3; j++ ) { @@ -129,25 +128,16 @@ template void NPTxyz::getVelScaleA(doub } } } +} +template void NPTxyz::getVelScaleA(double sc[3], double vel[3]) { info->matVecMul3( vScale, vel, sc ); } template void NPTxyz::getVelScaleB(double sc[3], int index ){ - int i,j; + int j; double myVel[3]; - double vScale[3][3]; - - for (i = 0; i < 3; i++ ) { - for (j = 0; j < 3; j++ ) { - vScale[i][j] = eta[i][j]; - if (i == j) { - vScale[i][j] += chi; - } - } - } - for (j = 0; j < 3; j++) myVel[j] = oldVel[3*index + j];