ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

remove redundant initializers from headers

Browse Source
This commit is contained in:
Axel Kohlmeyer
2024-05-16 09:41:42 -04:00
parent 16b2ed5cc9
commit 6aec49619f
2 changed files with 6 additions and 6 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
src/ML-PACE/pair_pace.h
View File

@ -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)

10
src/ML-PACE/pair_pace_extrapolation.h
View File

@ -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<std::string> 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;