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Move around PairSearch code
[alexxy/gromacs.git]
/
src
/
gromacs
/
nbnxm
/
pairlist.h
diff --git
a/src/gromacs/nbnxm/pairlist.h
b/src/gromacs/nbnxm/pairlist.h
index 98a138ec7498db17ed64a65b804d3bba04dda942..b4bbc52c92c3ba894b450ef6e6040896311a9adf 100644
(file)
--- a/
src/gromacs/nbnxm/pairlist.h
+++ b/
src/gromacs/nbnxm/pairlist.h
@@
-285,4
+285,7
@@
struct nbnxn_pairlist_set_t
std::vector<t_nblist *> nbl_fep; /* List of free-energy atom pair interactions */
};
+//! Initializes a free-energy pair-list
+void nbnxn_init_pairlist_fep(t_nblist *nl);
+
#endif