Added New keywords rotation rx ry rz to fix_deposit (25c3a452) · Commits · 郑智淋 / lammps

src/MISC/fix_deposit.cpp

+22 −5

Original line number	Diff line number	Diff line
		@@ -11,10 +11,10 @@
		See the README file in the top-level LAMMPS directory.
		------------------------------------------------------------------------- */

		#include "fix_deposit.h"
		#include <mpi.h>
		#include <cmath>
		#include <cstdlib>
		#include <cstring>
		#include "fix_deposit.h"
		#include "atom.h"
		#include "atom_vec.h"
		#include "molecule.h"
		@@ -418,9 +418,15 @@ void FixDeposit::pre_exchange()
		while (rng > molfrac[imol]) imol++;
		natom = onemols[imol]->natoms;
		if (dimension == 3) {
		if (rflag == 1) {
		r[0] = rx;
		r[1] = ry;
		r[2] = rz;
		} else {
		r[0] = random->uniform() - 0.5;
		r[1] = random->uniform() - 0.5;
		r[2] = random->uniform() - 0.5;
		}
		} else {
		r[0] = r[1] = 0.0;
		r[2] = 1.0;
		@@ -659,6 +665,10 @@ void FixDeposit::options(int narg, char **arg)
		xmid = ymid = zmid = 0.0;
		scaleflag = 1;
		targetflag = 0;
		rflag = 0;
		rx = 0.0;
		ry = 0.0;
		rz = 0.0;

		int iarg = 0;
		while (iarg < narg) {
		@@ -766,6 +776,13 @@ void FixDeposit::options(int narg, char **arg)
		vzlo = force->numeric(FLERR,arg[iarg+1]);
		vzhi = force->numeric(FLERR,arg[iarg+2]);
		iarg += 3;
		} else if (strcmp(arg[iarg],"rotation") == 0) {
		if (iarg+4 > narg) error->all(FLERR,"Illegal fix deposit command");
		rflag = 1;
		rx = force->numeric(FLERR,arg[iarg+1]);
		ry = force->numeric(FLERR,arg[iarg+2]);
		rz = force->numeric(FLERR,arg[iarg+3]);
		iarg += 4;
		} else if (strcmp(arg[iarg],"units") == 0) {
		if (iarg+2 > narg) error->all(FLERR,"Illegal fix deposit command");
		if (strcmp(arg[iarg+1],"box") == 0) scaleflag = 0;

+3 −2

Original line number	Diff line number	Diff line
		@@ -20,6 +20,7 @@ FixStyle(deposit,FixDeposit)
		#ifndef LMP_FIX_DEPOSIT_H
		#define LMP_FIX_DEPOSIT_H

		#include <cstdio>
		#include "fix.h"

		namespace LAMMPS_NS {
		@@ -38,9 +39,9 @@ class FixDeposit : public Fix {
		private:
		int ninsert,ntype,nfreq,seed;
		int iregion,globalflag,localflag,maxattempt,rateflag,scaleflag,targetflag;
		int mode,rigidflag,shakeflag,idnext,distflag;
		int mode,rigidflag,shakeflag,idnext,distflag,rflag;
		double lo,hi,deltasq,nearsq,rate,sigma;
		double vxlo,vxhi,vylo,vyhi,vzlo,vzhi;
		double vxlo,vxhi,vylo,vyhi,vzlo,vzhi,rx,ry,rz;
		double xlo,xhi,ylo,yhi,zlo,zhi,xmid,ymid,zmid;
		double tx,ty,tz;
		char *idregion;