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Adding triclinic patch (except for intel)

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jtclemm
2023-10-22 21:52:43 -06:00
parent b456beb62f 49f08e6231
commit 1571c96480
3033 changed files with 125592 additions and 129201 deletions
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11
src/nstencil_bin.cpp
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@ -30,10 +30,17 @@ void NStencilBin<HALF, DIM_3D, TRI>::create()
int i, j, k;
// For half stencils, only the upper plane is needed
// for triclinic, need to use full stencil in all dims
// not a half stencil in y
// b/c transforming orthog -> lambda -> orthog for ghost atoms
// with an added PBC offset can shift both coords by epsilon
// thus for an I/J owned/ghost pair, the xy coords
// and bin assignments can be different on I proc vs J proc
int sy_min = sy;
int sz_min = sz;
if (HALF && (!DIM_3D)) sy_min = 0;
if (HALF && DIM_3D) sz_min = 0;
if ((!TRI) && HALF && (!DIM_3D)) sy_min = 0;
if ((!TRI) && HALF && DIM_3D) sz_min = 0;
nstencil = 0;