--- trunk/OOPSE/libmdtools/SimInfo.cpp 2003/09/22 23:07:57 781 +++ trunk/OOPSE/libmdtools/SimInfo.cpp 2003/10/28 16:03:37 829 @@ -1,6 +1,6 @@ -#include -#include -#include +#include +#include +#include #include using namespace std; @@ -94,8 +94,7 @@ void SimInfo::setBoxM( double theBox[3][3] ){ void SimInfo::setBoxM( double theBox[3][3] ){ - int i, j, status; - double smallestBoxL, maxCutoff; + int i, j; double FortranHmat[9]; // to preserve compatibility with Fortran the // ordering in the array is as follows: // [ 0 3 6 ] @@ -302,7 +301,6 @@ void SimInfo::calcBoxL( void ){ void SimInfo::calcBoxL( void ){ double dx, dy, dz, dsq; - int i; // boxVol = Determinant of Hmat @@ -372,7 +370,7 @@ void SimInfo::wrapVector( double thePos[3] ){ void SimInfo::wrapVector( double thePos[3] ){ - int i, j, k; + int i; double scaled[3]; if( !orthoRhombic ){ @@ -410,7 +408,7 @@ int SimInfo::getNDF(){ int SimInfo::getNDF(){ - int ndf_local, ndf; + int ndf_local; ndf_local = 3 * n_atoms + 3 * n_oriented - n_constraints; @@ -426,7 +424,7 @@ int SimInfo::getNDFraw() { } int SimInfo::getNDFraw() { - int ndfRaw_local, ndfRaw; + int ndfRaw_local; // Raw degrees of freedom that we have to set ndfRaw_local = 3 * n_atoms + 3 * n_oriented; @@ -441,7 +439,7 @@ int SimInfo::getNDFtranslational() { } int SimInfo::getNDFtranslational() { - int ndfTrans_local, ndfTrans; + int ndfTrans_local; ndfTrans_local = 3 * n_atoms - n_constraints;