ICODE-ADC/lammps
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remove unused class member

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This commit is contained in:
Axel Kohlmeyer
2024-02-27 22:42:13 -05:00
parent 9a0ce2d5c7
commit 5967865af9
2 changed files with 1 additions and 3 deletions
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3
src/ML-PACE/compute_pace.cpp
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@ -50,8 +50,7 @@ using namespace LAMMPS_NS;
enum { SCALAR, VECTOR, ARRAY };
ComputePACE::ComputePACE(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg), cutsq(nullptr), list(nullptr), pace(nullptr), paceall(nullptr),
pace_peratom(nullptr), map(nullptr), cg(nullptr), c_pe(nullptr), c_virial(nullptr),
acecimpl(nullptr)
pace_peratom(nullptr), map(nullptr), c_pe(nullptr), c_virial(nullptr), acecimpl(nullptr)
{
array_flag = 1;
extarray = 0;

1
src/ML-PACE/compute_pace.h
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@ -43,7 +43,6 @@ class ComputePACE : public Compute {
double **pace_peratom;
int *map; // map types to [0,nelements)
int bikflag, bik_rows, dgradflag, dgrad_rows;
double *cg;
double cutmax;
Compute *c_pe;