reformat modified core LAMMPS code (87d838d8) · Commits · 郑智淋 / lammps

src/fix_wall_reflect.cpp

+4 −14

Changes for src/fix_wall_reflect.cpp: 4 added lines, 14 removed lines.
Original line number	Diff line number	Diff line
		@@ -24,25 +24,19 @@
		#include "error.h"
		#include "force.h"


		using namespace LAMMPS_NS;
		using namespace FixConst;



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

		FixWallReflect::FixWallReflect(LAMMPS lmp, int narg, char *arg) :
		Fix(lmp, narg, arg),
		nwall(0)
		{


		if (narg < 4) error->all(FLERR,"Illegal fix wall/reflect command");

		if (strcmp(arg[2],"wall/reflect") == 0) { // child class can be stochastic


		dynamic_group_allow = 1;

		// parse args
		@@ -55,7 +49,8 @@ FixWallReflect::FixWallReflect(LAMMPS lmp, int narg, char *arg) :
		if ((strcmp(arg[iarg],"xlo") == 0) \|\| (strcmp(arg[iarg],"xhi") == 0) \|\|
		(strcmp(arg[iarg],"ylo") == 0) \|\| (strcmp(arg[iarg],"yhi") == 0) \|\|
		(strcmp(arg[iarg],"zlo") == 0) \|\| (strcmp(arg[iarg],"zhi") == 0)) {
		if (iarg+2 > narg) error->all(FLERR,"Illegal fix wall/reflect command");
		if (iarg+2 > narg)
		error->all(FLERR,"Illegal fix wall/reflect command");

		int newwall;
		if (strcmp(arg[iarg],"xlo") == 0) newwall = XLO;
		@@ -89,7 +84,6 @@ FixWallReflect::FixWallReflect(LAMMPS lmp, int narg, char *arg) :
		nwall++;
		iarg += 2;


		} else if (strcmp(arg[iarg],"units") == 0) {
		if (iarg+2 > narg) error->all(FLERR,"Illegal wall/reflect command");
		if (strcmp(arg[iarg+1],"box") == 0) scaleflag = 0;
		@@ -145,7 +139,6 @@ FixWallReflect::FixWallReflect(LAMMPS lmp, int narg, char *arg) :
		for (int m = 0; m < nwall; m++)
		if (wallstyle[m] == VARIABLE) varflag = 1;
		}

		}

		/* ---------------------------------------------------------------------- */
		@@ -200,8 +193,6 @@ void FixWallReflect::post_integrate()
		// coord = current position of wall
		// evaluate variable if necessary, wrap with clear/add



		if (varflag) modify->clearstep_compute();

		for (int m = 0; m < nwall; m++) {
		@@ -212,10 +203,8 @@ void FixWallReflect::post_integrate()
		else coord *= zscale;
		} else coord = coord0[m];


		wall_particle(m,wallwhich[m],coord);


		if (varflag) modify->addstep_compute(update->ntimestep + 1);
		}
		}
		@@ -232,7 +221,7 @@ void FixWallReflect::wall_particle(int m, int which, double coord)
		dim = which / 2;
		side = which % 2;

		for (i = 0; i < nlocal; i++)
		for (i = 0; i < nlocal; i++) {
		if (mask[i] & groupbit) {

		if (side == 0) {
		@@ -248,3 +237,4 @@ void FixWallReflect::wall_particle(int m, int which, double coord)
		}
		}
		}
		}

src/random_mars.cpp

+14 −11

Changes for src/random_mars.cpp: 14 added lines, 11 removed lines.
Original line number	Diff line number	Diff line
		@@ -17,6 +17,7 @@
		#include "random_mars.h"
		#include <cmath>
		#include "error.h"
		#include "math_const.h"

		using namespace LAMMPS_NS;

		@@ -125,7 +126,6 @@ double RanMars::gaussian(double mu, double sigma)
		v1 = mu+sigma*gaussian();
		return v1;
		}
		/* ---------------------------------------------------------------------- */


		/* ----------------------------------------------------------------------
		@@ -136,9 +136,9 @@ double RanMars::rayleigh(double sigma)
		{
		double first,v1;

		if (sigma <= 0)
		if (sigma <= 0) {
		error->all(FLERR,"Invalid Rayleigh parameter");
		else {
		} else {
		v1 = uniform();
		first = sigmasqrt(-2.0log(v1));
		return first;
		@@ -153,17 +153,20 @@ double RanMars::rayleigh(double sigma)
		double RanMars::besselexp(double theta, double alpha, double cp)
		{
		double first,v1,v2;


		if ((theta < 0) \|\| (alpha < 0) \|\| (alpha >1))
		if ((theta < 0) \|\| (alpha < 0) \|\| (alpha >1)) {
		error->all(FLERR,"Invalid Bessel exponential distribution parameters");
		else {
		} else {
		v1 = uniform();
		v2 = uniform();
		if (cp < 0)
		first = sqrt((1-alpha)cpcp-2alphathetalog(v1)+2sqrt(-2theta(1-alpha)alphalog(v1))cos(2M_PIv2)cp);
		else {
		first = - sqrt((1-alpha)cpcp-2alphathetalog(v1)-2sqrt(-2theta(1-alpha)alphalog(v1))cos(2M_PIv2)cp) ;}
		if (cp < 0) {
		first = sqrt((1.0-alpha)cpcp - 2.0alphatheta*log(v1)
		+ 2.0sqrt(-2.0theta(1.0-alpha)alpha*log(v1))
		* cos(2.0MathConst::MY_PIv2)*cp);
		} else {
		first = -sqrt((1.0-alpha)cpcp - 2.0alphatheta*log(v1)
		- 2.0sqrt(-2.0theta(1.0-alpha)alpha*log(v1))
		* cos(2.0MathConst::MY_PIv2)*cp);
		}
		return first;
		}
		}

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