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(parent: 214499d) | patch
Basic support for 2D neighborhood search for analysis
authorTeemu Murtola <teemu.murtola@gmail.com>
Sun, 3 Aug 2014 04:27:36 +0000 (07:27 +0300)
committerTeemu Murtola <teemu.murtola@gmail.com>
Thu, 7 Aug 2014 14:50:25 +0000 (17:50 +0300)
commit04a01befd82b3b9b2e51ce60845a3cd8b6bbd531
tree9130a07270d1dd5595b3ab78fb82a5d81daa623ctree | snapshot
parent214499dc4df201d09f11fd565d24eefd06f5649fcommit | diff
Basic support for 2D neighborhood search for analysis

Add support for doing a neighborhood search based on distances in the
X-Y plane into the analysis neighborhood search routines.  The basic
logic is lifted from 'gmx rdf -xy' and made a bit more general.

Currently, only basic searching is implemented, but grid-based should
not be too difficult either.  Later implementation of a grid-based
search should be transparent to callers.

Change-Id: I635d7f7a5eb0136d7a3a4c968ddaa34b03ae3bc7
src/gromacs/selection/nbsearch.cpp diff | blob | history
src/gromacs/selection/nbsearch.h diff | blob | history
src/gromacs/selection/tests/nbsearch.cpp diff | blob | history
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