diff --git a/src/MLIAP/mliap_data.cpp b/src/MLIAP/mliap_data.cpp index 9e3474c37c..7bffd8ec3b 100644 --- a/src/MLIAP/mliap_data.cpp +++ b/src/MLIAP/mliap_data.cpp @@ -32,16 +32,14 @@ using namespace LAMMPS_NS; -MLIAPData::MLIAPData(LAMMPS *lmp, - int gradgradflag_in, int *map_in, class MLIAPModel* model_in, - class MLIAPDescriptor* descriptor_in, class PairMLIAP* pairmliap_in) : - Pointers(lmp), - list(NULL), - gradforce(NULL), - betas(NULL), descriptors(NULL), gamma_row_index(NULL), gamma_col_index(NULL), - gamma(NULL), egradient(NULL), model(NULL), descriptor(NULL), - iatoms(NULL), ielems(NULL), numneighs(NULL), - jatoms(NULL), jelems(NULL), rij(NULL), graddesc(NULL) +MLIAPData::MLIAPData(LAMMPS *lmp, int gradgradflag_in, int *map_in, + class MLIAPModel* model_in, + class MLIAPDescriptor* descriptor_in, + class PairMLIAP* pairmliap_in) : + Pointers(lmp), gradforce(NULL), betas(NULL), descriptors(NULL), gamma(NULL), + gamma_row_index(NULL), gamma_col_index(NULL), egradient(NULL), + numneighs(NULL), iatoms(NULL), ielems(NULL), jatoms(NULL), jelems(NULL), + rij(NULL), graddesc(NULL), model(NULL), descriptor(NULL), list(NULL) { gradgradflag = gradgradflag_in; map = map_in; diff --git a/src/MLIAP/mliap_data.h b/src/MLIAP/mliap_data.h index 8219f7d35c..0307d93aee 100644 --- a/src/MLIAP/mliap_data.h +++ b/src/MLIAP/mliap_data.h @@ -68,8 +68,8 @@ class MLIAPData : protected Pointers { class PairMLIAP *pairmliap; // access to pair tally functions private: - class MLIAPModel* model; - class MLIAPDescriptor* descriptor; + class MLIAPModel *model; + class MLIAPDescriptor *descriptor; int nmax; class NeighList *list; // LAMMPS neighbor list