Cleaned up pair body rounded/polyhedron (82b1ab2a) · Commits · 郑智淋 / lammps

src/BODY/fix_wall_body_polygon.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -12,7 +12,7 @@
		------------------------------------------------------------------------- */

		/* ----------------------------------------------------------------------
		Contributing authors: Trung Dac Nguyen (ndactrung@gmail.com)
		Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
		------------------------------------------------------------------------- */

		#include <cmath>

src/BODY/fix_wall_body_polyhedron.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -12,7 +12,7 @@
		------------------------------------------------------------------------- */

		/* ----------------------------------------------------------------------
		Contributing authors: Trung Dac Nguyen (ndactrung@gmail.com)
		Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
		------------------------------------------------------------------------- */

		#include <cmath>

src/BODY/pair_body_rounded_polyhedron.cpp

+0 −44

Original line number	Diff line number	Diff line
		@@ -609,15 +609,6 @@ void PairBodyRoundedPolyhedron::sphere_against_sphere(int ibody, int jbody,

		energy = 0;
		kernel_force(R, itype, jtype, energy, fpair);
		/*
		if (R <= 0) { // deformation occurs
		fpair = -k_n * R - shift;
		energy = (0.5 * k_n * R + shift) * R;
		} else if (R <= cut_inner) { // not deforming but cohesive ranges overlap
		fpair = k_na * R - shift;
		energy = (-0.5 * k_na * R + shift) * R;
		} else fpair = 0.0;
		*/

		fx = delx*fpair/rij;
		fy = dely*fpair/rij;
		@@ -756,16 +747,6 @@ void PairBodyRoundedPolyhedron::sphere_against_edge(int ibody, int jbody,

		energy = 0;
		kernel_force(R, itype, jtype, energy, fpair);
		/*
		if (R <= 0) { // deformation occurs
		fpair = -k_n * R - shift;
		energy = (0.5 * k_n * R + shift) * R;
		} else if (R <= cut_inner) { // not deforming but cohesive ranges overlap
		fpair = k_na * R - shift;
		energy = (-0.5 * k_na * R + shift) * R;
		} else fpair = 0.0;
		*/


		fx = delx*fpair/rij;
		fy = dely*fpair/rij;
		@@ -908,15 +889,6 @@ void PairBodyRoundedPolyhedron::sphere_against_face(int ibody, int jbody,

		energy = 0;
		kernel_force(R, itype, jtype, energy, fpair);
		/*
		if (R <= 0) { // deformation occurs
		fpair = -k_n * R - shift;
		energy = (0.5 * k_n * R + shift) * R;
		} else if (R <= cut_inner) { // not deforming but cohesive ranges overlap
		fpair = k_na * R - shift;
		energy = (-0.5 * k_na * R + shift) * R;
		} else fpair = 0.0;
		*/

		fx = delx*fpair/rij;
		fy = dely*fpair/rij;
		@@ -1506,15 +1478,6 @@ void PairBodyRoundedPolyhedron::pair_force_and_torque(int ibody, int jbody,
		R = r - contact_dist;

		kernel_force(R, itype, jtype, energy, fpair);
		/*
		if (R <= 0) { // deformation occurs
		fpair = -k_n * R - shift;
		energy += (0.5 * k_n * R + shift) * R;
		} else if (R <= cut_inner) { // not deforming but cohesive ranges overlap
		fpair = k_na * R - shift;
		energy += (-0.5 * k_na * R + shift) * R;
		} else fpair = 0.0;
		*/

		fx = delx*fpair/r;
		fy = dely*fpair/r;
		@@ -1743,13 +1706,6 @@ void PairBodyRoundedPolyhedron::rescale_cohesive_forces(double** x,

		double energy = 0;
		kernel_force(R, itype, jtype, energy, fpair);
		/*
		if (R <= 0) { // deformation occurs
		fpair = -k_n * R - shift;
		} else if (R <= cut_inner) { // not deforming but cohesive ranges overlap
		fpair = k_na * R - shift;
		} else fpair = 0.0;
		*/

		fpair *= j_a;
		fx = delx*fpair/r;

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