Apply CENTROID_* constants

src/CLASS2/pair_lj_class2.cpp

@@ -35,7 +35,7 @@ PairLJClass2::PairLJClass2(LAMMPS *lmp) : Pair(lmp)
 {
   respa_enable = 1;
   writedata = 1;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/CLASS2/pair_lj_class2_coul_cut.cpp

@@ -33,7 +33,7 @@ using namespace MathConst;
 PairLJClass2CoulCut::PairLJClass2CoulCut(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/PYTHON/pair_python.cpp

@@ -41,7 +41,7 @@ PairPython::PairPython(LAMMPS *lmp) : Pair(lmp) {
   one_coeff = 1;
   reinitflag = 0;
   cut_global = 0.0;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 
   py_potential = nullptr;
   skip_types = nullptr;

src/USER-FEP/pair_coul_cut_soft.cpp

@@ -33,7 +33,7 @@ using namespace LAMMPS_NS;
 /* ---------------------------------------------------------------------- */
 
 PairCoulCutSoft::PairCoulCutSoft(LAMMPS *lmp) : Pair(lmp) {
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp

@@ -33,7 +33,7 @@ using namespace MathConst;
 PairLJClass2CoulCutSoft::PairLJClass2CoulCutSoft(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/USER-FEP/pair_lj_class2_soft.cpp

@@ -32,7 +32,7 @@ using namespace MathConst;
 PairLJClass2Soft::PairLJClass2Soft(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp

@@ -37,7 +37,7 @@ using namespace MathConst;
 PairLJCutCoulCutSoft::PairLJCutCoulCutSoft(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/USER-FEP/pair_lj_cut_soft.cpp

@@ -43,7 +43,7 @@ PairLJCutSoft::PairLJCutSoft(LAMMPS *lmp) : Pair(lmp)
   respa_enable = 1;
   writedata = 1;
   allocated = 0;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/pair.cpp

@@ -812,13 +812,13 @@ void Pair::ev_setup(int eflag, int vflag, int alloc)
   cvflag_atom = 0;
 
   if (vflag & VIRIAL_CENTROID) {
-    if (centroidstressflag & 2) {
+    if (centroidstressflag & CENTROID_AVAIL) {
       cvflag_atom = 1;
     } else {
       vflag_atom = 1;
     }
     // extra check, because both bits might be set
-    if (centroidstressflag & 1) vflag_atom = 1;
+    if (centroidstressflag & CENTROID_SAME) vflag_atom = 1;
   }
 
   vflag_either = vflag_global || vflag_atom;

src/pair_beck.cpp

@@ -33,7 +33,7 @@ using namespace MathSpecial;
 /* ---------------------------------------------------------------------- */
 
 PairBeck::PairBeck(LAMMPS *lmp) : Pair(lmp) {
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_buck.cpp

@@ -32,7 +32,7 @@ using namespace MathConst;
 PairBuck::PairBuck(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_buck_coul_cut.cpp

@@ -36,7 +36,7 @@ using namespace MathConst;
 PairBuckCoulCut::PairBuckCoulCut(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_coul_cut.cpp

@@ -29,7 +29,7 @@ using namespace LAMMPS_NS;
 /* ---------------------------------------------------------------------- */
 
 PairCoulCut::PairCoulCut(LAMMPS *lmp) : Pair(lmp) {
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_coul_dsf.cpp

@@ -44,7 +44,7 @@ using namespace MathConst;
 /* ---------------------------------------------------------------------- */
 
 PairCoulDSF::PairCoulDSF(LAMMPS *lmp) : Pair(lmp) {
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_coul_wolf.cpp

@@ -36,7 +36,7 @@ using namespace MathConst;
 PairCoulWolf::PairCoulWolf(LAMMPS *lmp) : Pair(lmp)
 {
   single_enable = 0;        // NOTE: single() method below is not yet correct
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_hybrid.cpp

@@ -45,7 +45,7 @@ PairHybrid::PairHybrid(LAMMPS *lmp) : Pair(lmp),
 
   // assume pair hybrid always supports centroid atomic stress,
   // so that cflag_atom gets set when needed
-  centroidstressflag = 2;
+  centroidstressflag = CENTROID_AVAIL;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -168,7 +168,7 @@ void PairHybrid::compute(int eflag, int vflag)
     if (cvflag_atom) {
       n = atom->nlocal;
       if (force->newton_pair) n += atom->nghost;
-      if (styles[m]->centroidstressflag & 2) {
+      if (styles[m]->centroidstressflag & CENTROID_AVAIL) {
         double **cvatom_substyle = styles[m]->cvatom;
         for (i = 0; i < n; i++)
           for (j = 0; j < 9; j++)
@@ -401,7 +401,7 @@ void PairHybrid::flags()
     if (styles[m]->dispersionflag) dispersionflag = 1;
     if (styles[m]->tip4pflag) tip4pflag = 1;
     if (styles[m]->compute_flag) compute_flag = 1;
-    if (styles[m]->centroidstressflag & 4) centroidstressflag |= 4;
+    if (styles[m]->centroidstressflag & CENTROID_NOTAVAIL) centroidstressflag |= CENTROID_NOTAVAIL;
   }
   single_enable = (single_enable == nstyles) ? 1 : 0;
   respa_enable = (respa_enable == nstyles) ? 1 : 0;

src/pair_lj_cubic.cpp

@@ -33,7 +33,7 @@ using namespace PairLJCubicConstants;
 /* ---------------------------------------------------------------------- */
 
 PairLJCubic::PairLJCubic(LAMMPS *lmp) : Pair(lmp) {
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_lj_cut.cpp

@@ -41,7 +41,7 @@ PairLJCut::PairLJCut(LAMMPS *lmp) : Pair(lmp)
 {
   respa_enable = 1;
   writedata = 1;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_lj_cut_coul_cut.cpp

@@ -33,7 +33,7 @@ using namespace MathConst;
 PairLJCutCoulCut::PairLJCutCoulCut(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_lj_cut_coul_dsf.cpp

@@ -46,7 +46,7 @@ using namespace MathConst;
 PairLJCutCoulDSF::PairLJCutCoulDSF(LAMMPS *lmp) : Pair(lmp)
 {
   single_enable = 0;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_lj_cut_coul_wolf.cpp

@@ -37,7 +37,7 @@ PairLJCutCoulWolf::PairLJCutCoulWolf(LAMMPS *lmp) : Pair(lmp)
 {
   single_enable = 0;
   writedata = 1;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_lj_expand.cpp

@@ -32,7 +32,7 @@ using namespace MathConst;
 PairLJExpand::PairLJExpand(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_lj_gromacs_coul_gromacs.cpp

@@ -34,7 +34,7 @@ using namespace LAMMPS_NS;
 PairLJGromacsCoulGromacs::PairLJGromacsCoulGromacs(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_lj_smooth.cpp

@@ -33,7 +33,7 @@ using namespace LAMMPS_NS;
 PairLJSmooth::PairLJSmooth(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_lj_smooth_linear.cpp

@@ -32,7 +32,7 @@ using namespace LAMMPS_NS;
 
 PairLJSmoothLinear::PairLJSmoothLinear(LAMMPS *lmp) : Pair(lmp) {
   single_hessian_enable = 1;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_morse.cpp

@@ -30,7 +30,7 @@ using namespace LAMMPS_NS;
 PairMorse::PairMorse(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_ufm.cpp

@@ -36,7 +36,7 @@ using namespace LAMMPS_NS;
 PairUFM::PairUFM(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
-  centroidstressflag = 1;
+  centroidstressflag = CENTROID_SAME;
 }
 
 /* ---------------------------------------------------------------------- */