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refactoring of code and doc files

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This commit is contained in:
Steve Plimpton
2020-01-13 15:22:02 -07:00
parent aa70f8cc6b
commit d3348371e1
5 changed files with 171 additions and 139 deletions
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34
src/USER-MISC/fix_wall_reflect_stochastic.cpp
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@ -29,7 +29,7 @@
using namespace LAMMPS_NS;
using namespace FixConst;
enum{NONE=0,DIFFUSIVE=1,MAXWELL=2,CERCIGNANILAMPIS=3};
enum{NONE,DIFFUSIVE,MAXWELL,CCL};
/* ---------------------------------------------------------------------- */
@ -51,16 +51,16 @@ FixWallReflectStochastic(LAMMPS *lmp, int narg, char **arg) :
nwall = 0;
int scaleflag = 1;
reflectionstyle = NONE;
rstyle = NONE;
if (strcmp(arg[3],"diffusive") == 0) {
reflectionstyle = DIFFUSIVE;
rstyle = DIFFUSIVE;
arginc = 6;
} else if (strcmp(arg[3],"maxwell") == 0) {
reflectionstyle = MAXWELL;
rstyle = MAXWELL;
arginc = 7;
} else if (strcmp(arg[3],"cercignanilampis") == 0) {
reflectionstyle = CERCIGNANILAMPIS;
} else if (strcmp(arg[3],"ccl") == 0) {
rstyle = CCL;
arginc = 9;
} else error->all(FLERR,"Illegal fix wall/reflect/stochastic command");
@ -73,7 +73,7 @@ FixWallReflectStochastic(LAMMPS *lmp, int narg, char **arg) :
if ((strcmp(arg[iarg],"xlo") == 0) || (strcmp(arg[iarg],"xhi") == 0) ||
(strcmp(arg[iarg],"ylo") == 0) || (strcmp(arg[iarg],"yhi") == 0) ||
(strcmp(arg[iarg],"zlo") == 0) || (strcmp(arg[iarg],"zhi") == 0)) {
if (iarg+2 > narg)
if (iarg+arginc > narg)
error->all(FLERR,"Illegal fix wall/reflect/stochastic command");
int newwall;
@ -108,13 +108,15 @@ FixWallReflectStochastic(LAMMPS *lmp, int narg, char **arg) :
int dim = wallwhich[nwall] / 2;
if ((wallvel[nwall][dir] !=0) & (dir == dim))
error->all(FLERR,"The wall velocity must be tangential");
if (reflectionstyle == CERCIGNANILAMPIS) {
// DIFFUSIVE = no accomodation coeffs
// MAXWELL = one for all dimensions
// CLL = one for each dimension
if (rstyle == CCL)
wallaccom[nwall][dir]= force->numeric(FLERR,arg[iarg+dir+6]);
} else if (reflectionstyle == MAXWELL) {
// one accommodation coefficient for all directions
else if (rstyle == MAXWELL)
wallaccom[nwall][dir]= force->numeric(FLERR,arg[iarg+6]);
}
}
nwall++;
@ -227,7 +229,7 @@ void FixWallReflectStochastic::wall_particle(int m, int which, double coord)
// only needed for Maxwell model
if (reflectionstyle == MAXWELL) difftest = random->uniform();
if (rstyle == MAXWELL) difftest = random->uniform();
for (dir = 0; dir < 3; dir++) {
@ -237,14 +239,14 @@ void FixWallReflectStochastic::wall_particle(int m, int which, double coord)
// diffusive reflection
if (reflectionstyle == DIFFUSIVE) {
if (rstyle == DIFFUSIVE) {
if (dir != dim)
v[i][dir] = wallvel[m][dir] + random->gaussian(0,factor);
else v[i][dir] = sign*random->rayleigh(factor);
// Maxwell reflection
} else if (reflectionstyle == MAXWELL) {
} else if (rstyle == MAXWELL) {
if (difftest < wallaccom[m][dir]) {
if (dir != dim)
v[i][dir] = wallvel[m][dir] + random->gaussian(0,factor);
@ -255,7 +257,7 @@ void FixWallReflectStochastic::wall_particle(int m, int which, double coord)
// Cercignani Lampis reflection
} else if (reflectionstyle == CERCIGNANILAMPIS) {
} else if (rstyle == CCL) {
if (dir != dim)
v[i][dir] = wallvel[m][dir] +
random->gaussian((1-wallaccom[m][dir]) *