diff --git a/src/ML-PACE/pair_pace.h b/src/ML-PACE/pair_pace.h index 9b5d2c5480..5cff7045fa 100644 --- a/src/ML-PACE/pair_pace.h +++ b/src/ML-PACE/pair_pace.h @@ -52,7 +52,7 @@ class PairPACE : public Pair { protected: struct ACEImpl *aceimpl; - int nmax_corerep = 0; + int nmax_corerep; virtual void allocate(); double *corerep_factor; //per-atom core-rep factor (= 1 - fcut) diff --git a/src/ML-PACE/pair_pace_extrapolation.h b/src/ML-PACE/pair_pace_extrapolation.h index 440d999029..e01fdd2329 100644 --- a/src/ML-PACE/pair_pace_extrapolation.h +++ b/src/ML-PACE/pair_pace_extrapolation.h @@ -46,15 +46,15 @@ class PairPACEExtrapolation : public Pair { protected: struct ACEALImpl *aceimpl; - int nmax = 0, nmax_corerep = 0; + int nmax, nmax_corerep; virtual void allocate(); std::vector element_names; // list of elements (used by dump pace/extrapolation) - double *extrapolation_grade_gamma = nullptr; //per-atom gamma value - double *corerep_factor = nullptr; //per-atom core-rep factor (= 1 - fcut) + double *extrapolation_grade_gamma; //per-atom gamma value + double *corerep_factor; //per-atom core-rep factor (= 1 - fcut) - int flag_compute_extrapolation_grade = 0; - int flag_corerep_factor = 0; + int flag_compute_extrapolation_grade; + int flag_corerep_factor; double **scale;