Merge pull request #221 from akohlmey/collected-bugfixes (713b2af0) · Commits · 郑智淋 / lammps

doc/src/fix_temp_rescale.txt

+1 −1

Original line number	Diff line number	Diff line
		@@ -54,7 +54,7 @@ name. In this case, the variable will be evaluated each timestep, and
		its value used to determine the target temperature.

		Equal-style variables can specify formulas with various mathematical
		functions, and include "thermo_style"_thermox_style.html command
		functions, and include "thermo_style"_thermo_style.html command
		keywords for the simulation box parameters and timestep and elapsed
		time. Thus it is easy to specify a time-dependent temperature.

src/GRANULAR/fix_wall_gran_region.cpp

+2 −0

Original line number	Diff line number	Diff line
		@@ -85,6 +85,8 @@ FixWallGranRegion::FixWallGranRegion(LAMMPS lmp, int narg, char *arg) :
		FixWallGranRegion::~FixWallGranRegion()
		{
		delete [] c2r;
		delete [] region_style;

		memory->destroy(ncontact);
		memory->destroy(walls);
		memory->destroy(shearmany);

src/USER-DPD/fix_dpd_energy.h

+0 −4

Original line number	Diff line number	Diff line
		@@ -33,10 +33,6 @@ class FixDPDenergy : public Fix {
		virtual void final_integrate();

		protected:
		double dtv,dtf;
		int mass_require;
		int eos;

		class PairDPDfdtEnergy *pairDPDE;
		};

src/fix_halt.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -182,7 +182,7 @@ void FixHalt::end_of_step()

		void FixHalt::post_run()
		{
		// continue halt -> subsequent runs are allowd
		// continue halt -> subsequent runs are allowed

		if (eflag == CONTINUE) timer->reset_timeout();
		}

src/region_cone.cpp

+18 −13

Original line number	Diff line number	Diff line
		@@ -174,34 +174,31 @@ int RegCone::inside(double x, double y, double z)
		{
		double del1,del2,dist;
		double currentradius;
		int inside;

		if (axis == 'x') {
		del1 = y - c1;
		del2 = z - c2;
		dist = sqrt(del1del1 + del2del2);
		currentradius = radiuslo + (x-lo)*(radiushi-radiuslo)/(hi-lo);
		if (dist <= currentradius && x >= lo && x <= hi) inside = 1;
		else inside = 0;
		}
		if (axis == 'y') {
		if (dist <= currentradius && x >= lo && x <= hi) return 1;
		else return 0;
		} else if (axis == 'y') {
		del1 = x - c1;
		del2 = z - c2;
		dist = sqrt(del1del1 + del2del2);
		currentradius = radiuslo + (y-lo)*(radiushi-radiuslo)/(hi-lo);
		if (dist <= currentradius && y >= lo && y <= hi) inside = 1;
		else inside = 0;
		}
		if (axis == 'z') {
		if (dist <= currentradius && y >= lo && y <= hi) return 1;
		else return 0;
		} else if (axis == 'z') {
		del1 = x - c1;
		del2 = y - c2;
		dist = sqrt(del1del1 + del2del2);
		currentradius = radiuslo + (z-lo)*(radiushi-radiuslo)/(hi-lo);
		if (dist <= currentradius && z >= lo && z <= hi) inside = 1;
		else inside = 0;
		if (dist <= currentradius && z >= lo && z <= hi) return 1;
		else return 0;
		}

		return inside;
		return 0;
		}

		/* ----------------------------------------------------------------------
		@@ -414,7 +411,7 @@ int RegCone::surface_exterior(double *x, double cutoff)

		// radius of curvature, only used for granular walls

		double crad = 0.0;
		crad = 0.0;

		// x is far enough from cone that there is no contact
		// x is interior to cone
		@@ -478,6 +475,10 @@ int RegCone::surface_exterior(double *x, double cutoff)
		r = sqrt(del1del1 + del2del2);
		currentradius = radiuslo + (x[1]-lo)*(radiushi-radiuslo)/(hi-lo);

		// radius of curvature, only used for granular walls

		crad = 0.0;

		// y is far enough from cone that there is no contact
		// y is interior to cone

		@@ -539,6 +540,10 @@ int RegCone::surface_exterior(double *x, double cutoff)
		r = sqrt(del1del1 + del2del2);
		currentradius = radiuslo + (x[2]-lo)*(radiushi-radiuslo)/(hi-lo);

		// radius of curvature, only used for granular walls

		crad = 0.0;

		// z is far enough from cone that there is no contact
		// z is interior to cone

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