USER-DPD: finish renaming #ifdef DEBUG_PAIR_CT to DEBUG_SSA_PAIR_CT (3e6cdd14) · Commits · 郑智淋 / lammps

src/USER-DPD/fix_shardlow.cpp

+8 −8

Original line number	Diff line number	Diff line
		@@ -212,7 +212,7 @@ void FixShardlow::ssa_update_dpd(
		const double mass_i = (rmass) ? rmass[i] : mass[itype];
		const double massinv_i = 1.0 / mass_i;

		#ifdef DEBUG_PAIR_CT
		#ifdef DEBUG_SSA_PAIR_CT
		const int nlocal = atom->nlocal;
		#endif

		@@ -225,7 +225,7 @@ void FixShardlow::ssa_update_dpd(
		double dely = ytmp - x[j][1];
		double delz = ztmp - x[j][2];
		double rsq = delxdelx + delydely + delz*delz;
		#ifdef DEBUG_PAIR_CT
		#ifdef DEBUG_SSA_PAIR_CT
		if ((i < nlocal) && (j < nlocal)) ++(counters[0][0]);
		else ++(counters[0][1]);
		++(counters[0][2]);
		@@ -237,7 +237,7 @@ void FixShardlow::ssa_update_dpd(

		// NOTE: r can be 0.0 in DPD systems, so do EPSILON_SQUARED test
		if ((rsq < cut2_i[jtype]) && (rsq >= EPSILON_SQUARED)) {
		#ifdef DEBUG_PAIR_CT
		#ifdef DEBUG_SSA_PAIR_CT
		if ((i < nlocal) && (j < nlocal)) ++(counters[1][0]);
		else ++(counters[1][1]);
		++(counters[1][2]);
		@@ -369,7 +369,7 @@ void FixShardlow::ssa_update_dpde(
		const double massinv_i = 1.0 / mass_i;
		const double mass_i_div_neg4_ftm2v = mass_i*(-0.25)/ftm2v;

		#ifdef DEBUG_PAIR_CT
		#ifdef DEBUG_SSA_PAIR_CT
		const int nlocal = atom->nlocal;
		#endif

		@@ -382,7 +382,7 @@ void FixShardlow::ssa_update_dpde(
		double dely = ytmp - x[j][1];
		double delz = ztmp - x[j][2];
		double rsq = delxdelx + delydely + delz*delz;
		#ifdef DEBUG_PAIR_CT
		#ifdef DEBUG_SSA_PAIR_CT
		if ((i < nlocal) && (j < nlocal)) ++(counters[0][0]);
		else ++(counters[0][1]);
		++(counters[0][2]);
		@@ -394,7 +394,7 @@ void FixShardlow::ssa_update_dpde(

		// NOTE: r can be 0.0 in DPD systems, so do EPSILON_SQUARED test
		if ((rsq < cut2_i[jtype]) && (rsq >= EPSILON_SQUARED)) {
		#ifdef DEBUG_PAIR_CT
		#ifdef DEBUG_SSA_PAIR_CT
		if ((i < nlocal) && (j < nlocal)) ++(counters[1][0]);
		else ++(counters[1][1]);
		++(counters[1][2]);
		@@ -530,7 +530,7 @@ void FixShardlow::initial_integrate(int vflag)
		error->one(FLERR, msg);
		}

		#ifdef DEBUG_PAIR_CT
		#ifdef DEBUG_SSA_PAIR_CT
		for (int i = 0; i < 2; ++i)
		for (int j = 0; j < 3; ++j)
		counters[i][j] = 0;
		@@ -598,7 +598,7 @@ void FixShardlow::initial_integrate(int vflag)

		} //End Loop over all directions For airnum = Top, Top-Right, Right, Bottom-Right, Back

		#ifdef DEBUG_PAIR_CT
		#ifdef DEBUG_SSA_PAIR_CT
		for (int i = 0; i < 32; ++i) fprintf(stdout, "%8d", hist[i]);
		fprintf(stdout, "\n%6d %6d,%6d %6d: "
		,counters[0][2]

src/USER-DPD/fix_shardlow.h

+1 −1

Original line number	Diff line number	Diff line
		@@ -38,7 +38,7 @@ class FixShardlow : public Fix {

		double memory_usage();

		#ifdef DEBUG_PAIR_CT
		#ifdef DEBUG_SSA_PAIR_CT
		int counters[2][3];
		int hist[32];
		#endif

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