remove some debugging code (380f0e49) · Commits · 郑智淋 / lammps

src/REPLICA/fix_hyper_local.cpp

+7 −5

Original line number	Diff line number	Diff line
		@@ -308,10 +308,10 @@ void FixHyperLocal::init()
		neighbor->requests[irequest]->cutoff = dcut;
		neighbor->requests[irequest]->occasional = 1;

		// DEBUG timing output
		// extra timing output

		timefirst = timesecond = timethird = timefourth = timefifth =
		timesixth = timeseventh = timetotal = 0.0;
		//timefirst = timesecond = timethird = timefourth = timefifth =
		// timesixth = timeseventh = timetotal = 0.0;
		}

		/* ---------------------------------------------------------------------- */
		@@ -530,18 +530,20 @@ void FixHyperLocal::pre_reverse(int /* eflag /, int / vflag */)
		continue;
		}

		// DEBUG - only good for 2 dims x,y

		if (j >= nlocal) {
		if (x[j][0] < sublo[0]) rmaxbig = MAX(rmaxbig,sublo[0]-x[j][0]);
		if (x[j][1] < sublo[1]) rmaxbig = MAX(rmaxbig,sublo[1]-x[j][1]);
		if (x[j][2] < sublo[2]) rmaxbig = MAX(rmaxbig,sublo[2]-x[j][2]);
		if (x[j][0] > subhi[0]) rmaxbig = MAX(rmaxbig,x[j][0]-subhi[0]);
		if (x[j][1] > subhi[1]) rmaxbig = MAX(rmaxbig,x[j][1]-subhi[1]);
		if (x[j][2] > subhi[2]) rmaxbig = MAX(rmaxbig,x[j][2]-subhi[2]);
		if (maxstrain[j] < qfactor) {
		if (x[j][0] < sublo[0]) rmax = MAX(rmax,sublo[0]-x[j][0]);
		if (x[j][1] < sublo[1]) rmax = MAX(rmax,sublo[1]-x[j][1]);
		if (x[j][2] < sublo[2]) rmax = MAX(rmax,sublo[2]-x[j][2]);
		if (x[j][0] > subhi[0]) rmax = MAX(rmax,x[j][0]-subhi[0]);
		if (x[j][1] > subhi[1]) rmax = MAX(rmax,x[j][1]-subhi[1]);
		if (x[j][2] > subhi[2]) rmax = MAX(rmax,x[j][2]-subhi[2]);
		}
		}
		}

+4 −11

Original line number	Diff line number	Diff line
		@@ -96,8 +96,10 @@ class FixHyperLocal : public FixHyper {
		double rmaxever,rmaxeverbig;
		int ghost_toofar;

		double timefirst,timesecond,timethird,timefourth;
		double timefifth,timesixth,timeseventh,timetotal;
		// extra timers

		//double timefirst,timesecond,timethird,timefourth;
		//double timefifth,timesixth,timeseventh,timetotal;

		// data structs for per-atom and per-bond info
		// all of these are for current owned and ghost atoms
		@@ -148,15 +150,6 @@ class FixHyperLocal : public FixHyper {
		int histo_flag,histo_every,histo_count,histo_print,histo_steps;
		double histo_delta,invhisto_delta,histo_lo;
		bigint histo,allhisto;

		// DEBUG: MPI data struct for finding min/max bias coeffs via Allreduce

		struct Two {
		double value;
		int proc;
		};
		Two pairme,pairall;

		};

		}

+0 −3

Original line number	Diff line number	Diff line
		@@ -469,9 +469,6 @@ void Hyper::quench(int flag)
		//modify->addstep_compute_all(update->ntimestep);
		//update->minimize->setup_minimal(1);

		// NOTE: what doing with ncalls?
		// int ncalls = neighbor->ncalls;

		timer->barrier_start();
		update->minimize->run(maxiter);
		timer->barrier_stop();