(614c1573) · Commits · 郑智淋 / lammps

src/fix_wall_lj126.cpp

+5 −4

Original line number	Diff line number	Diff line
		@@ -44,8 +44,6 @@ FixWallLJ126::FixWallLJ126(LAMMPS lmp, int narg, char *arg) :

		// set defaults

		vel = 0.0;

		if (strcmp(arg[3],"xlo") == 0) {
		dim = 0;
		side = -1;
		@@ -71,6 +69,10 @@ if (strcmp(arg[3],"xlo") == 0) {
		sigma = atof(arg[6]);
		cutoff = atof(arg[7]);

		// read options

		vel = 0.0;

		int iarg = 8;
		while (iarg < narg) {
		if (strcmp(arg[iarg],"vel") == 0) {
		@@ -159,7 +161,6 @@ void FixWallLJ126::post_force(int vflag)
		double delt = (update->ntimestep - update->beginstep) * update->dt;
		double coord = coord0 + delt*vel;


		for (int i = 0; i < nlocal; i++)
		if (mask[i] & groupbit) {
		if (side == -1) delta = x[i][dim] - coord;

+4 −2

Original line number	Diff line number	Diff line
		@@ -40,8 +40,6 @@ FixWallLJ93::FixWallLJ93(LAMMPS lmp, int narg, char *arg) :

		// set defaults

		vel = 0.0;

		if (strcmp(arg[3],"xlo") == 0) {
		dim = 0;
		side = -1;
		@@ -67,6 +65,10 @@ FixWallLJ93::FixWallLJ93(LAMMPS lmp, int narg, char *arg) :
		sigma = atof(arg[6]);
		cutoff = atof(arg[7]);

		// read options

		vel = 0.0;

		int iarg = 8;
		while (iarg < narg) {
		if (strcmp(arg[iarg],"vel") == 0) {