avoid use '&&' and '||' instead of 'and' and 'or' for consistency
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@ -270,12 +270,10 @@ void FixNEB::min_post_force(int vflag)
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MPI_Bcast(&vnext,1,MPI_DOUBLE,0,world);
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}
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if (FreeEndFinal) {
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if (update->ntimestep == 0) {EFinalIni = veng;}
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}
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if (FreeEndFinal && (update->ntimestep == 0)) EFinalIni = veng;
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if (ireplica == 0) vIni=veng;
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if (ireplica == 0)
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vIni=veng;
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if (FreeEndFinalWithRespToEIni) {
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if (me == 0) {
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int procFirst;
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@ -484,7 +482,7 @@ void FixNEB::min_post_force(int vflag)
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}
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}
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if (FreeEndFinal&&ireplica == nreplica -1) {
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if (FreeEndFinal && ireplica == nreplica -1) {
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if (tlen > 0.0) {
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double dotall;
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MPI_Allreduce(&dot,&dotall,1,MPI_DOUBLE,MPI_SUM,world);
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@ -524,7 +522,7 @@ void FixNEB::min_post_force(int vflag)
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double meanDist,idealPos,lenuntilIm,lenuntilClimber;
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lenuntilClimber=0;
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if (NEBLongRange) {
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if (cmode == SINGLE_PROC_DIRECT or cmode == SINGLE_PROC_MAP) {
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if (cmode == SINGLE_PROC_DIRECT || cmode == SINGLE_PROC_MAP) {
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MPI_Allgather(&nlen,1,MPI_DOUBLE,&nlenall[0],1,MPI_DOUBLE,uworld);
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} else {
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if (me == 0)
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@ -145,15 +145,15 @@ void NEB::command(int narg, char **arg)
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// process file-style setting to setup initial configs for all replicas
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if (strcmp(arg[5],"final") == 0) {
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if (narg != 7 and narg !=8) error->universe_all(FLERR,"Illegal NEB command");
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if (narg != 7 && narg !=8) error->universe_all(FLERR,"Illegal NEB command");
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infile = arg[6];
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readfile(infile,0);
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} else if (strcmp(arg[5],"each") == 0) {
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if (narg != 7 and narg !=8) error->universe_all(FLERR,"Illegal NEB command");
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if (narg != 7 && narg !=8) error->universe_all(FLERR,"Illegal NEB command");
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infile = arg[6];
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readfile(infile,1);
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} else if (strcmp(arg[5],"none") == 0) {
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if (narg != 6 and narg !=7) error->universe_all(FLERR,"Illegal NEB command");
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if (narg != 6 && narg !=7) error->universe_all(FLERR,"Illegal NEB command");
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} else error->universe_all(FLERR,"Illegal NEB command");
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Verbose=false;
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