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

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This commit is contained in:
Axel Kohlmeyer
2024-01-19 12:58:07 -05:00
parent 3b4b7eb919
commit e0967af6e8
12 changed files with 27 additions and 76 deletions
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8
src/COLLOID/pair_brownian.cpp
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@ -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]);

8
src/COLLOID/pair_brownian_poly.cpp
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@ -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]);

8
src/COLLOID/pair_lubricate.cpp
View File

@ -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]);

14
src/COLLOID/pair_lubricateU.cpp
View File

@ -40,11 +40,7 @@
using namespace LAMMPS_NS;
using namespace MathConst;
#define TOL 1E-4 // tolerance for conjugate gradient
// same as fix_wall.cpp
enum{EDGE,CONSTANT,VARIABLE};
static constexpr double TOL = 1e-4; // tolerance for conjugate gradient
/* ---------------------------------------------------------------------- */
@ -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]);

27
src/COLLOID/pair_lubricateU_poly.cpp
View File

@ -41,12 +41,7 @@
using namespace LAMMPS_NS;
using namespace MathConst;
#define TOL 1E-3 // tolerance for conjugate gradient
// same as fix_wall.cpp
enum{EDGE,CONSTANT,VARIABLE};
static constexpr double TOL = 1e-3; // tolerance for conjugate gradient
/* ---------------------------------------------------------------------- */
@ -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,
"Cannot use multiple fix wall commands with "
"pair lubricateU");
error->all(FLERR, "Cannot use multiple fix wall commands with pair lubricateU/poly");
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 (logfile)
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);
}
if (comm->me == 0)
utils::logmesg(lmp, "lubricateU: vol_f = {}, vol_p = {}, vol_T = {}\n", vol_f, vol_P, vol_T);
// Set the isotropic constant

8
src/COLLOID/pair_lubricate_poly.cpp
View File

@ -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]);

8
src/OPENMP/pair_brownian_omp.cpp
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@ -36,11 +36,7 @@ using namespace LAMMPS_NS;
using namespace MathConst;
using namespace MathSpecial;
#define EPSILON 1.0e-10
// same as fix_wall.cpp
enum{EDGE,CONSTANT,VARIABLE};
static constexpr double EPSILON = 1.0e-10;
/* ---------------------------------------------------------------------- */
@ -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];

8
src/OPENMP/pair_brownian_poly_omp.cpp
View File

@ -36,11 +36,7 @@ using namespace LAMMPS_NS;
using namespace MathConst;
using namespace MathSpecial;
#define EPSILON 1.0e-10
// same as fix_wall.cpp
enum{EDGE,CONSTANT,VARIABLE};
static constexpr double EPSILON = 1.0e-10;
/* ---------------------------------------------------------------------- */
@ -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];

6
src/OPENMP/pair_lubricate_omp.cpp
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@ -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];

6
src/OPENMP/pair_lubricate_poly_omp.cpp
View File

@ -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];

1
src/fix_wall.cpp
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@ -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"};

1
src/fix_wall.h
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@ -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;