(d9310d7e) · Commits · 郑智淋 / lammps

src/GRANULAR/fix_pour.cpp

+5 −6

Original line number	Diff line number	Diff line
		@@ -114,14 +114,13 @@ FixPour::FixPour(LAMMPS lmp, int narg, char *arg) :
		} else error->all("Illegal fix pour command");
		}

		// error check that a valid region was specified
		// error checks on region and its extent being inside simulation box

		if (iregion == -1) error->all("Must specify a region in fix pour");

		// error checks on region

		if (domain->regions[iregion]->interior == 0)
		error->all("Must use region with side = in with fix pour");
		if (domain->regions[iregion]->bboxflag == 0)
		error->all("Fix pour region does not support a bounding box");
		if (domain->regions[iregion]->dynamic_check())
		error->all("Fix pour region cannot be dynamic");

		if (strcmp(domain->regions[iregion]->style,"block") == 0) {
		region_style = 1;

src/PRD/prd.cpp

+6 −1

Original line number	Diff line number	Diff line
		@@ -24,6 +24,7 @@
		#include "update.h"
		#include "atom.h"
		#include "domain.h"
		#include "region.h"
		#include "comm.h"
		#include "velocity.h"
		#include "integrate.h"
		@@ -221,12 +222,16 @@ void PRD::command(int narg, char **arg)

		update->minimize->init();

		// cannot use PRD with time-dependent fixes
		// cannot use PRD with time-dependent fixes or regions

		for (int i = 0; i < modify->nfix; i++)
		if (modify->fix[i]->time_depend)
		error->all("Cannot use PRD with a time-dependent fix defined");

		for (int i = 0; i < modify->nfix; i++)
		if (domain->regions[i]->dynamic)
		error->all("Cannot use PRD with a time-dependent region defined");

		// perform PRD simulation

		if (me_universe == 0 && universe->uscreen)

src/fix_deposit.cpp

+2 −0

Original line number	Diff line number	Diff line
		@@ -70,6 +70,8 @@ FixDeposit::FixDeposit(LAMMPS lmp, int narg, char *arg) :
		if (iregion == -1) error->all("Must specify a region in fix deposit");
		if (domain->regions[iregion]->bboxflag == 0)
		error->all("Fix deposit region does not support a bounding box");
		if (domain->regions[iregion]->dynamic_check())
		error->all("Fix deposit region cannot be dynamic");

		xlo = domain->regions[iregion]->extent_xlo;
		xhi = domain->regions[iregion]->extent_xhi;

src/fix_wall_region.cpp

+0 −3

Original line number	Diff line number	Diff line
		@@ -62,9 +62,6 @@ FixWallRegion::FixWallRegion(LAMMPS lmp, int narg, char *arg) :

		eflag = 0;
		ewall[0] = ewall[1] = ewall[2] = ewall[3] = 0.0;

		// set this when regions have time dependence
		// time_depend = 1;
		}

		/* ---------------------------------------------------------------------- */

src/region.cpp

+17 −6

Original line number	Diff line number	Diff line
		@@ -22,7 +22,7 @@

		using namespace LAMMPS_NS;

		enum{NONE,LINEAR,WIGGLE,ROTATE,VARIABLE};
		enum{NONE,VELOCITY,WIGGLE,ROTATE,VARIABLE};

		/* ---------------------------------------------------------------------- */

		@@ -82,12 +82,12 @@ void Region::options(int narg, char **arg)
		else if (strcmp(arg[iarg+1],"out") == 0) interior = 0;
		else error->all("Illegal region command");
		iarg += 2;
		} else if (strcmp(arg[iarg],"linear") == 0) {
		} else if (strcmp(arg[iarg],"vel") == 0) {
		if (iarg+4 > narg) error->all("Illegal region command");
		vx = atof(arg[iarg+1]);
		vy = atof(arg[iarg+2]);
		vz = atof(arg[iarg+3]);
		dynamic = LINEAR;
		dynamic = VELOCITY;
		iarg += 4;
		} else if (strcmp(arg[iarg],"wiggle") == 0) {
		if (iarg+5 > narg) error->all("Illegal region command");
		@@ -129,7 +129,7 @@ void Region::options(int narg, char **arg)
		}
		else xscale = yscale = zscale = 1.0;

		if (dynamic == LINEAR) {
		if (dynamic == VELOCITY) {
		vx *= xscale;
		vy *= yscale;
		vz *= zscale;
		@@ -160,6 +160,17 @@ void Region::options(int narg, char **arg)
		}
		}

		/* ----------------------------------------------------------------------
		return 1 if region is dynamic, 0 if static
		only primitive regions define it here
		union/intersect regions have their own dynamic_check()
		------------------------------------------------------------------------- */

		int Region::dynamic_check()
		{
		return dynamic;
		}

		/* ----------------------------------------------------------------------
		determine if point x,y,z is a match to region volume
		XOR computes 0 if 2 args are the same, 1 if different
		@@ -174,7 +185,7 @@ int Region::match(double x, double y, double z)

		if (dynamic) {
		double delta = (update->ntimestep - time_origin) * dt;
		if (dynamic == LINEAR) {
		if (dynamic == VELOCITY) {
		x -= vx*delta;
		y -= vy*delta;
		z -= vz*delta;
		@@ -207,7 +218,7 @@ int Region::surface(double x, double y, double z, double cutoff)

		if (dynamic) {
		double delta = (update->ntimestep - time_origin) * dt;
		if (dynamic == LINEAR) {
		if (dynamic == VELOCITY) {
		x -= vx*delta;
		y -= vy*delta;
		z -= vz*delta;

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