diff --git a/doc/src/pair_mliap.rst b/doc/src/pair_mliap.rst index 54adb7d721..480b46317a 100644 --- a/doc/src/pair_mliap.rst +++ b/doc/src/pair_mliap.rst @@ -171,7 +171,7 @@ to specify the path for these *model* and *descriptor* files. These can consume a significant amount of RAM for simulations of larger systems since their size depends on the total number of neighbors per MPI process. - + The *unified* keyword is followed by an argument specifying the filename containing the serialized unified Python object and the "ghostneigh" toggle (0/1) to disable/enable the construction of neighbors lists including diff --git a/src/ML-IAP/mliap_data.cpp b/src/ML-IAP/mliap_data.cpp index c433a9fde5..a91e66b211 100644 --- a/src/ML-IAP/mliap_data.cpp +++ b/src/ML-IAP/mliap_data.cpp @@ -147,7 +147,7 @@ void MLIAPData::generate_neighdata(NeighList* list_in, int eflag_in, int vflag_i memory->grow(eatoms,nlistatoms,"MLIAPData:eatoms"); nlistatoms_max = nlistatoms; } - + // grow gamma arrays if necessary if (gradgradflag == 1) {