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Variables
gmx::anonymous_namespace{updategroupscog.cpp} Namespace Reference

Variables

gmx::RVec positions []
 Database of 51 water atom input positions (taken from spc216.gro) for use as test inputs. More...
 

Variable Documentation

gmx::RVec gmx::anonymous_namespace{updategroupscog.cpp}::positions[]
Initial value:
= { { .130, -.041, -.291 }, { .120, -.056, -.192 }, { .044, -.005, -.327 },
{ -.854, -.406, .477 }, { -.900, -.334, .425 }, { -.858, -.386, .575 },
{ .351, -.061, .853 }, { .401, -.147, .859 }, { .416, .016, .850 },
{ -.067, -.796, .873 }, { -.129, -.811, .797 }, { -.119, -.785, .958 },
{ -.635, -.312, -.356 }, { -.629, -.389, -.292 }, { -.687, -.338, -.436 },
{ .321, -.919, .242 }, { .403, -.880, .200 }, { .294, -1.001, .193 },
{ -.404, .735, .728 }, { -.409, .670, .803 }, { -.324, .794, .741 },
{ .461, -.596, -.135 }, { .411, -.595, -.221 }, { .398, -.614, -.059 },
{ -.751, -.086, .237 }, { -.811, -.148, .287 }, { -.720, -.130, .152 },
{ .202, .285, -.364 }, { .122, .345, -.377 }, { .192, .236, -.278 },
{ -.230, -.485, .081 }, { -.262, -.391, .071 }, { -.306, -.548, .069 },
{ .464, -.119, .323 }, { .497, -.080, .409 }, { .540, -.126, .258 },
{ -.462, .107, .426 }, { -.486, .070, .336 }, { -.363, .123, .430 },
{ .249, -.077, -.621 }, { .306, -.142, -.571 }, { .233, -.110, -.714 },
{ -.922, -.164, .904 }, { -.842, -.221, .925 }, { -.971, -.204, .827 },
{ .382, .700, .480 }, { .427, .610, .477 }, { .288, .689, .513 },
{ .781, .264, -.113 }, { .848, .203, -.070 }, { .708, .283, -.048 } }

Database of 51 water atom input positions (taken from spc216.gro) for use as test inputs.