diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp index 71a9fefc23ac71f2ffa91cdcbde5d845c6252a16..760167f8fb1d29846f78430e59c99f5f30e5c91a 100644 --- a/src/MANYBODY/pair_eam.cpp +++ b/src/MANYBODY/pair_eam.cpp @@ -314,7 +314,7 @@ void PairEAM::allocate() cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq"); map = new int[n+1]; - for (int i = 1; i <= n; i++) map[n] = -1; + for (int i = 1; i <= n; i++) map[i] = -1; type2frho = new int[n+1]; type2rhor = memory->create_2d_int_array(n+1,n+1,"pair:type2rhor"); diff --git a/src/MANYBODY/pair_sw.cpp b/src/MANYBODY/pair_sw.cpp index e508a6dca346270fedc8e9f6fd971af75137d5f7..857064231db008f4543a239241517a4e577f997c 100755 --- a/src/MANYBODY/pair_sw.cpp +++ b/src/MANYBODY/pair_sw.cpp @@ -306,7 +306,7 @@ void PairSW::read_file(char *file) int params_per_line = 13; char **words = new char*[params_per_line+1]; - if (params) delete [] params; + memory->sfree(params); params = NULL; nparams = 0; diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp index aeda1f1c48365e5397e5c63b65970f4d2f25b829..453928b7c47262525e8d41833df35cac80a3907c 100755 --- a/src/MANYBODY/pair_tersoff.cpp +++ b/src/MANYBODY/pair_tersoff.cpp @@ -63,7 +63,7 @@ PairTersoff::~PairTersoff() if (elements) for (int i = 0; i < nelements; i++) delete [] elements[i]; delete [] elements; - delete [] params; + memory->sfree(params); memory->destroy_3d_int_array(elem2param); if (allocated) { @@ -343,7 +343,7 @@ void PairTersoff::read_file(char *file) int params_per_line = 15; char **words = new char*[params_per_line+1]; - if (params) delete [] params; + memory->sfree(params); params = NULL; nparams = 0; diff --git a/src/pair.cpp b/src/pair.cpp index 98ca74e888fa53342bae322b1178655328e6aac7..b7278c634b80e53a1bc0898ad74f739f53789df9 100644 --- a/src/pair.cpp +++ b/src/pair.cpp @@ -122,13 +122,12 @@ void Pair::init() if (tail_flag && domain->nonperiodic && comm->me == 0) error->warning("Using pair tail corrections with nonperiodic system"); - init_style(); - if (!allocated) error->all("All pair coeffs are not set"); - for (i = 1; i <= atom->ntypes; i++) if (setflag[i][i] == 0) error->all("All pair coeffs are not set"); + init_style(); + double cut; cutforce = 0.0; etail = ptail = 0.0;