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| -rw-r--r-- | doc/symmetry.txt | 6 |
1 files changed, 6 insertions, 0 deletions
diff --git a/doc/symmetry.txt b/doc/symmetry.txt index 451c4922..d29ea137 100644 --- a/doc/symmetry.txt +++ b/doc/symmetry.txt @@ -47,3 +47,9 @@ returns (by reference) the indices of the "n"th equivalent reflection. You just have to worry about the general position, because get_equiv() will work out the special positions for you. get_general_equiv() must return the original indices when idx=0. + +If you want the new point group to be used for simulation on the GPU, you will +also need to modify src/diffraction-gpu.c and data/diffraction.cl. Choose a +simple capitalised name for the point group and add it to the list of OpenCL +preprocessor definitions in setup_gpu(). Then add a corresponding list of +equivalents following the established pattern in molecule_factor(). That's it. |