@@ -111,12 +111,12 @@ uint BoxDimensions::ShiftVolume(BoxDimensions &newDim, XYZ &scale, const uint b,
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if ((newDim.halfAx .x [b] < rCut[b] || newDim.halfAx .y [b] < rCut[b] ||
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newDim.halfAx .z [b] < rCut[b] || newVolume < minVol[b])) {
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std::cout << " WARNING!!! Box " << b
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- << " shrunk below 2*Rcut! Auto-rejecting!" << std::endl ;
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+ << " shrunk below 2*Rcut! Auto-rejecting!\n " ;
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std::cout << " Volume was reduced from " << volume[b] << " to " << newVolume
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- << std::endl ;
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- std::cout << " Old Axis Dimensions: " << axis.Get (b) << std::endl ;
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- std::cout << " New Axis Dimensions: " << newDim.GetAxis (b) << std::endl ;
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- std::cout << " Exiting!" << std::endl ;
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+ << " \n " ;
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+ std::cout << " Old Axis Dimensions: " << axis.Get (b) << " \n " ;
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+ std::cout << " New Axis Dimensions: " << newDim.GetAxis (b) << " \n " ;
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+ std::cout << " Exiting!\n " ;
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exit (EXIT_FAILURE);
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}
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scale = newDim.axis .Get (b) / axis.Get (b);
@@ -140,8 +140,12 @@ uint BoxDimensions::ExchangeVolume(BoxDimensions &newDim, XYZ *scale,
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scale[b] = newDim.axis .Get (b) / axis.Get (b);
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if ((newDim.halfAx .x [b] < rCut[b] || newDim.halfAx .y [b] < rCut[b] ||
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newDim.halfAx .z [b] < rCut[b] || newDim.volume [b] < minVol[b])) {
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- std::cout << " WARNING!!! box shrunk below 2*Rcut! Auto-rejecting!\n " ;
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- std::cout << " AxisDimensions: " << newDim.GetAxis (b) << std::endl;
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+ std::cout << " WARNING!!! Box " << b
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+ << " shrunk below 2*Rcut! Auto-rejecting!\n " ;
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+ std::cout << " Volume was reduced from " << volume[b] << " to "
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+ << newDim.volume [b] << " \n " ;
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+ std::cout << " Old Axis Dimensions: " << axis.Get (b) << " \n " ;
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+ std::cout << " New Axis Dimensions: " << newDim.GetAxis (b) << " \n " ;
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std::cout << " Exiting!\n " ;
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exit (EXIT_FAILURE);
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}
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