remove unused setting and array (d241b17c) · Commits · 郑智淋 / lammps

src/OPT/pair_ufm_opt.cpp

+1 −2

Original line number	Diff line number	Diff line
		@@ -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];
		}

+0 −4

Original line number	Diff line number	Diff line
		@@ -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];

+1 −1