avoid use '&&' and '||' instead of 'and' and 'or' for consistency (3fd91a23) · Commits · 郑智淋 / lammps

src/REPLICA/fix_neb.cpp

+5 −7

Original line number	Diff line number	Diff line
		@@ -270,12 +270,10 @@ void FixNEB::min_post_force(int vflag)
		MPI_Bcast(&vnext,1,MPI_DOUBLE,0,world);
		}

		if (FreeEndFinal) {
		if (update->ntimestep == 0) {EFinalIni = veng;}
		}
		if (FreeEndFinal && (update->ntimestep == 0)) EFinalIni = veng;

		if (ireplica == 0) vIni=veng;

		if (ireplica == 0)
		vIni=veng;
		if (FreeEndFinalWithRespToEIni) {
		if (me == 0) {
		int procFirst;
		@@ -524,7 +522,7 @@ void FixNEB::min_post_force(int vflag)
		double meanDist,idealPos,lenuntilIm,lenuntilClimber;
		lenuntilClimber=0;
		if (NEBLongRange) {
		if (cmode == SINGLE_PROC_DIRECT or cmode == SINGLE_PROC_MAP) {
		if (cmode == SINGLE_PROC_DIRECT \|\| cmode == SINGLE_PROC_MAP) {
		MPI_Allgather(&nlen,1,MPI_DOUBLE,&nlenall[0],1,MPI_DOUBLE,uworld);
		} else {
		if (me == 0)

+3 −3

Original line number	Diff line number	Diff line
		@@ -145,15 +145,15 @@ void NEB::command(int narg, char **arg)
		// process file-style setting to setup initial configs for all replicas

		if (strcmp(arg[5],"final") == 0) {
		if (narg != 7 and narg !=8) error->universe_all(FLERR,"Illegal NEB command");
		if (narg != 7 && narg !=8) error->universe_all(FLERR,"Illegal NEB command");
		infile = arg[6];
		readfile(infile,0);
		} else if (strcmp(arg[5],"each") == 0) {
		if (narg != 7 and narg !=8) error->universe_all(FLERR,"Illegal NEB command");
		if (narg != 7 && narg !=8) error->universe_all(FLERR,"Illegal NEB command");
		infile = arg[6];
		readfile(infile,1);
		} else if (strcmp(arg[5],"none") == 0) {
		if (narg != 6 and narg !=7) error->universe_all(FLERR,"Illegal NEB command");
		if (narg != 6 && narg !=7) error->universe_all(FLERR,"Illegal NEB command");
		} else error->universe_all(FLERR,"Illegal NEB command");

		Verbose=false;