move fix wall style enumerator to header and import from there for consistency

src/COLLOID/pair_brownian.cpp

@@ -42,10 +42,6 @@ using namespace LAMMPS_NS;
 using namespace MathConst;
 using namespace MathSpecial;
 
-// same as fix_wall.cpp
-
-enum { EDGE, CONSTANT, VARIABLE };
-
 /* ---------------------------------------------------------------------- */
 
 PairBrownian::PairBrownian(LAMMPS *lmp) : Pair(lmp)
@@ -110,7 +106,7 @@ void PairBrownian::compute(int eflag, int vflag)
         for (int m = 0; m < wallfix->nwall; m++) {
           int dim = wallfix->wallwhich[m] / 2;
           int side = wallfix->wallwhich[m] % 2;
-          if (wallfix->xstyle[m] == VARIABLE) {
+          if (wallfix->xstyle[m] == FixWall::VARIABLE) {
             wallcoord = input->variable->compute_equal(wallfix->xindex[m]);
           } else
             wallcoord = wallfix->coord0[m];
@@ -506,7 +502,7 @@ void PairBrownian::init_style()
     for (int m = 0; m < wallfix->nwall; m++) {
       int dim = wallfix->wallwhich[m] / 2;
       int side = wallfix->wallwhich[m] % 2;
-      if (wallfix->xstyle[m] == VARIABLE) {
+      if (wallfix->xstyle[m] == FixWall::VARIABLE) {
         wallfix->xindex[m] = input->variable->find(wallfix->xstr[m]);
         // Since fix->wall->init happens after pair->init_style
         wallcoord = input->variable->compute_equal(wallfix->xindex[m]);

src/COLLOID/pair_brownian_poly.cpp

@@ -42,10 +42,6 @@ using namespace LAMMPS_NS;
 using namespace MathConst;
 using namespace MathSpecial;
 
-// same as fix_wall.cpp
-
-enum{EDGE,CONSTANT,VARIABLE};
-
 /* ---------------------------------------------------------------------- */
 
 PairBrownianPoly::PairBrownianPoly(LAMMPS *lmp) : PairBrownian(lmp)
@@ -95,7 +91,7 @@ void PairBrownianPoly::compute(int eflag, int vflag)
         for (int m = 0; m < wallfix->nwall; m++) {
           int dim = wallfix->wallwhich[m] / 2;
           int side = wallfix->wallwhich[m] % 2;
-          if (wallfix->xstyle[m] == VARIABLE) {
+          if (wallfix->xstyle[m] == FixWall::VARIABLE) {
             wallcoord = input->variable->compute_equal(wallfix->xindex[m]);
           }
           else wallcoord = wallfix->coord0[m];
@@ -376,7 +372,7 @@ void PairBrownianPoly::init_style()
     for (int m = 0; m < wallfix->nwall; m++) {
       int dim = wallfix->wallwhich[m] / 2;
       int side = wallfix->wallwhich[m] % 2;
-      if (wallfix->xstyle[m] == VARIABLE) {
+      if (wallfix->xstyle[m] == FixWall::VARIABLE) {
         wallfix->xindex[m] = input->variable->find(wallfix->xstr[m]);
         // Since fix->wall->init happens after pair->init_style
         wallcoord = input->variable->compute_equal(wallfix->xindex[m]);

src/COLLOID/pair_lubricate.cpp

@@ -41,10 +41,6 @@
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
-// same as fix_wall.cpp
-
-enum{NONE=0,EDGE,CONSTANT,VARIABLE};
-
 /* ---------------------------------------------------------------------- */
 
 PairLubricate::PairLubricate(LAMMPS *lmp) : Pair(lmp)
@@ -169,7 +165,7 @@ void PairLubricate::compute(int eflag, int vflag)
          for (int m = 0; m < wallfix->nwall; m++) {
            int dim = wallfix->wallwhich[m] / 2;
            int side = wallfix->wallwhich[m] % 2;
-           if (wallfix->xstyle[m] == VARIABLE) {
+           if (wallfix->xstyle[m] == FixWall::VARIABLE) {
              wallcoord = input->variable->compute_equal(wallfix->xindex[m]);
            }
            else wallcoord = wallfix->coord0[m];
@@ -593,7 +589,7 @@ void PairLubricate::init_style()
     for (int m = 0; m < wallfix->nwall; m++) {
       int dim = wallfix->wallwhich[m] / 2;
       int side = wallfix->wallwhich[m] % 2;
-      if (wallfix->xstyle[m] == VARIABLE) {
+      if (wallfix->xstyle[m] == FixWall::VARIABLE) {
         wallfix->xindex[m] = input->variable->find(wallfix->xstr[m]);
         //Since fix->wall->init happens after pair->init_style
         wallcoord = input->variable->compute_equal(wallfix->xindex[m]);

src/COLLOID/pair_lubricateU.cpp

@@ -40,11 +40,7 @@
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
-#define TOL 1E-4   // tolerance for conjugate gradient
+static constexpr double TOL = 1e-4;   // tolerance for conjugate gradient
-
-// same as fix_wall.cpp
-
-enum{EDGE,CONSTANT,VARIABLE};
 
 /* ---------------------------------------------------------------------- */
 
@@ -595,7 +591,7 @@ void PairLubricateU::compute_Fh(double **x)
          for (int m = 0; m < wallfix->nwall; m++) {
            int dim = wallfix->wallwhich[m] / 2;
            int side = wallfix->wallwhich[m] % 2;
-           if (wallfix->xstyle[m] == VARIABLE) {
+           if (wallfix->xstyle[m] == FixWall::VARIABLE) {
              wallcoord = input->variable->compute_equal(wallfix->xindex[m]);
            }
            else wallcoord = wallfix->coord0[m];
@@ -827,7 +823,7 @@ void PairLubricateU::compute_RU()
          for (int m = 0; m < wallfix->nwall; m++) {
            int dim = wallfix->wallwhich[m] / 2;
            int side = wallfix->wallwhich[m] % 2;
-           if (wallfix->xstyle[m] == VARIABLE) {
+           if (wallfix->xstyle[m] == FixWall::VARIABLE) {
              wallcoord = input->variable->compute_equal(wallfix->xindex[m]);
            }
            else wallcoord = wallfix->coord0[m];
@@ -1098,7 +1094,7 @@ void PairLubricateU::compute_RU(double **x)
          for (int m = 0; m < wallfix->nwall; m++) {
            int dim = wallfix->wallwhich[m] / 2;
            int side = wallfix->wallwhich[m] % 2;
-           if (wallfix->xstyle[m] == VARIABLE) {
+           if (wallfix->xstyle[m] == FixWall::VARIABLE) {
              wallcoord = input->variable->compute_equal(wallfix->xindex[m]);
            }
            else wallcoord = wallfix->coord0[m];
@@ -1819,7 +1815,7 @@ void PairLubricateU::init_style()
     for (int m = 0; m < wallfix->nwall; m++) {
       int dim = wallfix->wallwhich[m] / 2;
       int side = wallfix->wallwhich[m] % 2;
-      if (wallfix->xstyle[m] == VARIABLE) {
+      if (wallfix->xstyle[m] == FixWall::VARIABLE) {
         wallfix->xindex[m] = input->variable->find(wallfix->xstr[m]);
         //Since fix->wall->init happens after pair->init_style
         wallcoord = input->variable->compute_equal(wallfix->xindex[m]);

src/COLLOID/pair_lubricateU_poly.cpp

@@ -41,12 +41,7 @@
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
-#define TOL 1E-3   // tolerance for conjugate gradient
+static constexpr double TOL = 1e-3;   // tolerance for conjugate gradient
-
-// same as fix_wall.cpp
-
-enum{EDGE,CONSTANT,VARIABLE};
-
 
 /* ---------------------------------------------------------------------- */
 
@@ -365,7 +360,7 @@ void PairLubricateUPoly::compute_Fh(double **x)
          for (int m = 0; m < wallfix->nwall; m++) {
            int dim = wallfix->wallwhich[m] / 2;
            int side = wallfix->wallwhich[m] % 2;
-           if (wallfix->xstyle[m] == VARIABLE) {
+           if (wallfix->xstyle[m] == FixWall::VARIABLE) {
              wallcoord = input->variable->compute_equal(wallfix->xindex[m]);
            }
            else wallcoord = wallfix->coord0[m];
@@ -640,7 +635,7 @@ void PairLubricateUPoly::compute_RU(double **x)
          for (int m = 0; m < wallfix->nwall; m++) {
            int dim = wallfix->wallwhich[m] / 2;
            int side = wallfix->wallwhich[m] % 2;
-           if (wallfix->xstyle[m] == VARIABLE) {
+           if (wallfix->xstyle[m] == FixWall::VARIABLE) {
              wallcoord = input->variable->compute_equal(wallfix->xindex[m]);
            }
            else wallcoord = wallfix->coord0[m];
@@ -1161,9 +1156,7 @@ void PairLubricateUPoly::init_style()
       flagdeform = 1;
     else if (strstr(modify->fix[i]->style,"wall") != nullptr) {
       if (flagwall)
-        error->all(FLERR,
+        error->all(FLERR, "Cannot use multiple fix wall commands with pair lubricateU/poly");
-                   "Cannot use multiple fix wall commands with "
-                   "pair lubricateU");
       flagwall = 1; // Walls exist
       wallfix = dynamic_cast<FixWall *>(modify->fix[i]);
       if (wallfix->xflag) flagwall = 2; // Moving walls exist
@@ -1184,7 +1177,7 @@ void PairLubricateUPoly::init_style()
     for (int m = 0; m < wallfix->nwall; m++) {
       int dim = wallfix->wallwhich[m] / 2;
       int side = wallfix->wallwhich[m] % 2;
-      if (wallfix->xstyle[m] == VARIABLE) {
+      if (wallfix->xstyle[m] == FixWall::VARIABLE) {
         wallfix->xindex[m] = input->variable->find(wallfix->xstr[m]);
         //Since fix->wall->init happens after pair->init_style
         wallcoord = input->variable->compute_equal(wallfix->xindex[m]);
@@ -1214,14 +1207,8 @@ void PairLubricateUPoly::init_style()
 
   if (!flagVF) vol_f = 0;
 
-  if (!comm->me) {
+  if (comm->me == 0)
-    if (logfile)
+    utils::logmesg(lmp, "lubricateU: vol_f = {}, vol_p = {}, vol_T = {}\n", vol_f, vol_P, vol_T);
-      fprintf(logfile, "lubricateU: vol_f = %g, vol_p = %g, vol_T = %g\n",
-          vol_f,vol_P,vol_T);
-    if (screen)
-      fprintf(screen, "lubricateU: vol_f = %g, vol_p = %g, vol_T = %g\n",
-          vol_f,vol_P,vol_T);
-  }
 
   // Set the isotropic constant
 

src/COLLOID/pair_lubricate_poly.cpp

@@ -41,10 +41,6 @@
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
-// same as fix_wall.cpp
-
-enum{EDGE,CONSTANT,VARIABLE};
-
 /* ---------------------------------------------------------------------- */
 
 PairLubricatePoly::PairLubricatePoly(LAMMPS *lmp) : PairLubricate(lmp)
@@ -151,7 +147,7 @@ void PairLubricatePoly::compute(int eflag, int vflag)
          for (int m = 0; m < wallfix->nwall; m++) {
            int dim = wallfix->wallwhich[m] / 2;
            int side = wallfix->wallwhich[m] % 2;
-           if (wallfix->xstyle[m] == VARIABLE) {
+           if (wallfix->xstyle[m] == FixWall::VARIABLE) {
              wallcoord = input->variable->compute_equal(wallfix->xindex[m]);
            }
            else wallcoord = wallfix->coord0[m];
@@ -498,7 +494,7 @@ void PairLubricatePoly::init_style()
     for (int m = 0; m < wallfix->nwall; m++) {
       int dim = wallfix->wallwhich[m] / 2;
       int side = wallfix->wallwhich[m] % 2;
-      if (wallfix->xstyle[m] == VARIABLE) {
+      if (wallfix->xstyle[m] == FixWall::VARIABLE) {
         wallfix->xindex[m] = input->variable->find(wallfix->xstr[m]);
         //Since fix->wall->init happens after pair->init_style
         wallcoord = input->variable->compute_equal(wallfix->xindex[m]);

src/OPENMP/pair_brownian_omp.cpp

@@ -36,11 +36,7 @@ using namespace LAMMPS_NS;
 using namespace MathConst;
 using namespace MathSpecial;
 
-#define EPSILON 1.0e-10
+static constexpr double EPSILON = 1.0e-10;
-
-// same as fix_wall.cpp
-
-enum{EDGE,CONSTANT,VARIABLE};
 
 /* ---------------------------------------------------------------------- */
 
@@ -93,7 +89,7 @@ void PairBrownianOMP::compute(int eflag, int vflag)
         for (int m = 0; m < wallfix->nwall; m++) {
           int dim = wallfix->wallwhich[m] / 2;
           int side = wallfix->wallwhich[m] % 2;
-          if (wallfix->xstyle[m] == VARIABLE) {
+          if (wallfix->xstyle[m] == FixWall::VARIABLE) {
             wallcoord = input->variable->compute_equal(wallfix->xindex[m]);
           }
           else wallcoord = wallfix->coord0[m];

src/OPENMP/pair_brownian_poly_omp.cpp

@@ -36,11 +36,7 @@ using namespace LAMMPS_NS;
 using namespace MathConst;
 using namespace MathSpecial;
 
-#define EPSILON 1.0e-10
+static constexpr double EPSILON = 1.0e-10;
-
-// same as fix_wall.cpp
-
-enum{EDGE,CONSTANT,VARIABLE};
 
 /* ---------------------------------------------------------------------- */
 
@@ -93,7 +89,7 @@ void PairBrownianPolyOMP::compute(int eflag, int vflag)
         for (int m = 0; m < wallfix->nwall; m++) {
           int dim = wallfix->wallwhich[m] / 2;
           int side = wallfix->wallwhich[m] % 2;
-          if (wallfix->xstyle[m] == VARIABLE) {
+          if (wallfix->xstyle[m] == FixWall::VARIABLE) {
             wallcoord = input->variable->compute_equal(wallfix->xindex[m]);
           }
           else wallcoord = wallfix->coord0[m];

src/OPENMP/pair_lubricate_omp.cpp

@@ -32,10 +32,6 @@
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
-// same as fix_wall.cpp
-
-enum{EDGE,CONSTANT,VARIABLE};
-
 /* ---------------------------------------------------------------------- */
 
 PairLubricateOMP::PairLubricateOMP(LAMMPS *lmp) :
@@ -74,7 +70,7 @@ void PairLubricateOMP::compute(int eflag, int vflag)
          for (int m = 0; m < wallfix->nwall; m++) {
            int dim = wallfix->wallwhich[m] / 2;
            int side = wallfix->wallwhich[m] % 2;
-           if (wallfix->xstyle[m] == VARIABLE) {
+           if (wallfix->xstyle[m] == FixWall::VARIABLE) {
              wallcoord = input->variable->compute_equal(wallfix->xindex[m]);
            }
            else wallcoord = wallfix->coord0[m];

src/OPENMP/pair_lubricate_poly_omp.cpp

@@ -32,10 +32,6 @@
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
-// same as fix_wall.cpp
-
-enum{EDGE,CONSTANT,VARIABLE};
-
 /* ---------------------------------------------------------------------- */
 
 PairLubricatePolyOMP::PairLubricatePolyOMP(LAMMPS *_lmp) :
@@ -74,7 +70,7 @@ void PairLubricatePolyOMP::compute(int eflag, int vflag)
          for (int m = 0; m < wallfix->nwall; m++) {
            int dim = wallfix->wallwhich[m] / 2;
            int side = wallfix->wallwhich[m] % 2;
-           if (wallfix->xstyle[m] == VARIABLE) {
+           if (wallfix->xstyle[m] == FixWall::VARIABLE) {
              wallcoord = input->variable->compute_equal(wallfix->xindex[m]);
            }
            else wallcoord = wallfix->coord0[m];

src/fix_wall.cpp

@@ -28,7 +28,6 @@ using namespace LAMMPS_NS;
 using namespace FixConst;
 
 enum { XLO = 0, XHI = 1, YLO = 2, YHI = 3, ZLO = 4, ZHI = 5 };
-enum { NONE = 0, EDGE, CONSTANT, VARIABLE };
 
 static const char *wallpos[] = {"xlo", "xhi", "ylo", "yhi", "zlo", "zhi"};
 

src/fix_wall.h

@@ -27,6 +27,7 @@ class FixWall : public Fix {
   int xstyle[6];
   int xindex[6];
   char *xstr[6];
+  enum { NONE = 0, EDGE, CONSTANT, VARIABLE };
 
   FixWall(class LAMMPS *, int, char **);
   ~FixWall() override;