remove unused setting and array

This commit is contained in:
Axel Kohlmeyer 2020-08-03 07:44:32 -04:00
parent 10c0b8d90e
commit d241b17c8e
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GPG Key ID: D9B44E93BF0C375A
3 changed files with 2 additions and 7 deletions

View File

@ -58,7 +58,7 @@ void PairUFMOpt::eval()
typedef struct { double x,y,z; } vec3_t;
typedef struct {
double cutsq,uf1,uf2,uf3,uf4,scale,offset;
double cutsq,uf1,uf2,uf3,scale,offset;
double _pad[2];
} fast_alpha_t;
@ -91,7 +91,6 @@ void PairUFMOpt::eval()
a.uf1 = uf1[i+1][j+1];
a.uf2 = uf2[i+1][j+1];
a.uf3 = uf3[i+1][j+1];
a.uf4 = uf4[i+1][j+1];
a.scale = scale[i+1][j+1];
a.offset = offset[i+1][j+1];
}

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@ -53,7 +53,6 @@ PairUFM::~PairUFM()
memory->destroy(uf1);
memory->destroy(uf2);
memory->destroy(uf3);
memory->destroy(uf4);
memory->destroy(offset);
}
}
@ -154,7 +153,6 @@ void PairUFM::allocate()
memory->create(uf1,n+1,n+1,"pair:uf1");
memory->create(uf2,n+1,n+1,"pair:uf2");
memory->create(uf3,n+1,n+1,"pair:uf3");
memory->create(uf4,n+1,n+1,"pair:uf4");
memory->create(offset,n+1,n+1,"pair:offset");
}
@ -230,7 +228,6 @@ double PairUFM::init_one(int i, int j)
uf1[i][j] = 2.0 * epsilon[i][j] / pow(sigma[i][j],2.0);
uf2[i][j] = 1.0 / pow(sigma[i][j],2.0);
uf3[i][j] = epsilon[i][j];
uf4[i][j] = sigma[i][j];
if (offset_flag) {
double ratio = pow(cut[i][j] / sigma[i][j],2.0);
@ -240,7 +237,6 @@ double PairUFM::init_one(int i, int j)
uf1[j][i] = uf1[i][j];
uf2[j][i] = uf2[i][j];
uf3[j][i] = uf3[i][j];
uf4[j][i] = uf4[i][j];
scale[j][i] = scale[i][j];
offset[j][i] = offset[i][j];

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@ -51,7 +51,7 @@ class PairUFM : public Pair {
double cut_global;
double **cut,**scale;
double **epsilon,**sigma;
double **uf1,**uf2,**uf3,**uf4,**offset;
double **uf1,**uf2,**uf3,**offset;
virtual void allocate();
};