--- trunk/src/brains/Snapshot.cpp 2005/04/15 22:04:00 507 +++ trunk/src/brains/Snapshot.cpp 2006/05/17 21:51:42 963 @@ -54,23 +54,23 @@ namespace oopse { namespace oopse { void Snapshot::setHmat(const Mat3x3d& m) { - const double orthoTolerance = NumericConstant::epsilon; + const RealType orthoTolerance = NumericConstant::epsilon; hmat_ = m; invHmat_ = hmat_.inverse(); //prepare fortran Hmat - double fortranHmat[9]; - double fortranInvHmat[9]; + RealType fortranHmat[9]; + RealType fortranInvHmat[9]; hmat_.getArray(fortranHmat); invHmat_.getArray(fortranInvHmat); //determine whether the box is orthoTolerance or not int oldOrthoRhombic = orthoRhombic_; - double smallDiag = fabs(hmat_(0, 0)); + RealType smallDiag = fabs(hmat_(0, 0)); if(smallDiag > fabs(hmat_(1, 1))) smallDiag = fabs(hmat_(1, 1)); if(smallDiag > fabs(hmat_(2, 2))) smallDiag = fabs(hmat_(2, 2)); - double tol = smallDiag * orthoTolerance; + RealType tol = smallDiag * orthoTolerance; orthoRhombic_ = 1; @@ -91,7 +91,7 @@ namespace oopse { sprintf( painCave.errMsg, "OOPSE is switching from the default Non-Orthorhombic\n" "\tto the faster Orthorhombic periodic boundary computations.\n" - "\tThis is usually a good thing, but if you wan't the\n" + "\tThis is usually a good thing, but if you want the\n" "\tNon-Orthorhombic computations, make the orthoBoxTolerance\n" "\tvariable ( currently set to %G ) smaller.\n", orthoTolerance); @@ -103,7 +103,7 @@ namespace oopse { "OOPSE is switching from the faster Orthorhombic to the more\n" "\tflexible Non-Orthorhombic periodic boundary computations.\n" "\tThis is usually because the box has deformed under\n" - "\tNPTf integration. If you wan't to live on the edge with\n" + "\tNPTf integration. If you want to live on the edge with\n" "\tthe Orthorhombic computations, make the orthoBoxTolerance\n" "\tvariable ( currently set to %G ) larger.\n", orthoTolerance);