From 0a84106b234e5a264ff128ea026ca6a599f559df Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 13 Jan 2020 22:47:06 -0500 Subject: [PATCH] fix whitespace issues --- src/USER-MISC/fix_wall_reflect_stochastic.cpp | 62 +++++++++---------- src/fix_wall_reflect.cpp | 2 +- src/fix_wall_reflect.h | 2 +- src/random_mars.cpp | 14 ++--- 4 files changed, 40 insertions(+), 40 deletions(-) diff --git a/src/USER-MISC/fix_wall_reflect_stochastic.cpp b/src/USER-MISC/fix_wall_reflect_stochastic.cpp index 0e32be16b5..418fc03eec 100644 --- a/src/USER-MISC/fix_wall_reflect_stochastic.cpp +++ b/src/USER-MISC/fix_wall_reflect_stochastic.cpp @@ -38,8 +38,8 @@ FixWallReflectStochastic(LAMMPS *lmp, int narg, char **arg) : FixWallReflect(lmp, narg, arg), random(NULL) { if (narg < 8) error->all(FLERR,"Illegal fix wall/reflect/stochastic command"); - - if (domain->triclinic != 0) + + if (domain->triclinic != 0) error->all(FLERR, "Fix wall/reflect/stochastic cannot be used with " "triclinic simulation box"); @@ -52,7 +52,7 @@ FixWallReflectStochastic(LAMMPS *lmp, int narg, char **arg) : nwall = 0; int scaleflag = 1; rstyle = NONE; - + if (strcmp(arg[3],"diffusive") == 0) { rstyle = DIFFUSIVE; arginc = 6; @@ -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+arginc > narg) + if (iarg+arginc > narg) error->all(FLERR,"Illegal fix wall/reflect/stochastic command"); int newwall; @@ -83,7 +83,7 @@ FixWallReflectStochastic(LAMMPS *lmp, int narg, char **arg) : else if (strcmp(arg[iarg],"yhi") == 0) newwall = YHI; else if (strcmp(arg[iarg],"zlo") == 0) newwall = ZLO; else if (strcmp(arg[iarg],"zhi") == 0) newwall = ZHI; - + for (int m = 0; (m < nwall) && (m < 6); m++) if (newwall == wallwhich[m]) error->all(FLERR, @@ -106,7 +106,7 @@ FixWallReflectStochastic(LAMMPS *lmp, int narg, char **arg) : for (int dir = 0; dir < 3; dir++) { wallvel[nwall][dir]= force->numeric(FLERR,arg[iarg+dir+3]); int dim = wallwhich[nwall] / 2; - if ((wallvel[nwall][dir] !=0) & (dir == dim)) + if ((wallvel[nwall][dir] !=0) & (dir == dim)) error->all(FLERR,"The wall velocity must be tangential"); // DIFFUSIVE = no accomodation coeffs @@ -118,12 +118,12 @@ FixWallReflectStochastic(LAMMPS *lmp, int narg, char **arg) : else if (rstyle == MAXWELL) wallaccom[nwall][dir]= force->numeric(FLERR,arg[iarg+6]); } - + nwall++; iarg += arginc; - + } else if (strcmp(arg[iarg],"units") == 0) { - if (iarg+2 > narg) + if (iarg+2 > narg) error->all(FLERR,"Illegal wall/reflect/stochastic command"); if (strcmp(arg[iarg+1],"box") == 0) scaleflag = 0; else if (strcmp(arg[iarg+1],"lattice") == 0) scaleflag = 1; @@ -147,19 +147,19 @@ FixWallReflectStochastic(LAMMPS *lmp, int narg, char **arg) : error->all(FLERR,"Cannot use fix wall/reflect/stochastic " "in periodic dimension"); } - + for (int m = 0; m < nwall; m++) if ((wallwhich[m] == ZLO || wallwhich[m] == ZHI) && domain->dimension == 2) error->all(FLERR, "Cannot use fix wall/reflect/stochastic zlo/zhi " "for a 2d simulation"); - + // scale factors for CONSTANT walls, VARIABLE wall is not allowed - + int flag = 0; for (int m = 0; m < nwall; m++) if (wallstyle[m] != EDGE) flag = 1; - + if (flag) { if (scaleflag) { xscale = domain->lattice->xlattice; @@ -167,7 +167,7 @@ FixWallReflectStochastic(LAMMPS *lmp, int narg, char **arg) : zscale = domain->lattice->zlattice; } else xscale = yscale = zscale = 1.0; - + for (int m = 0; m < nwall; m++) { if (wallstyle[m] != CONSTANT) continue; if (wallwhich[m] < YLO) coord0[m] *= xscale; @@ -211,7 +211,7 @@ void FixWallReflectStochastic::wall_particle(int m, int which, double coord) for (i = 0; i < nlocal; i++) { if (!(mask[i] & groupbit)) continue; - + sign = 0; if ((side == 0) & (x[i][dim] < coord)) sign = 1; else if ((side == 1) & (x[i][dim] > coord)) sign = -1; @@ -222,33 +222,33 @@ void FixWallReflectStochastic::wall_particle(int m, int which, double coord) if (rmass) theta = force->boltz*walltemp[m]/(rmass[i]*force->mvv2e); else theta = force->boltz*walltemp[m]/(mass[type[i]]*force->mvv2e); factor = sqrt(theta); - + // time travelling after collision - timecol = (x[i][dim]-coord) / v[i][dim]; + timecol = (x[i][dim]-coord) / v[i][dim]; // only needed for Maxwell model - + if (rstyle == MAXWELL) difftest = random->uniform(); - + for (dir = 0; dir < 3; dir++) { // pushing back atoms to wall position, assign new reflected velocity - - x[i][dir] -= v[i][dir]*timecol; - + + x[i][dir] -= v[i][dir]*timecol; + // diffusive reflection - + if (rstyle == DIFFUSIVE) { - if (dir != dim) + 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 (rstyle == MAXWELL) { if (difftest < wallaccom[m][dir]) { - if (dir != dim) + if (dir != dim) v[i][dir] = wallvel[m][dir] + random->gaussian(0,factor); else v[i][dir] = sign*random->rayleigh(factor); } else { @@ -259,16 +259,16 @@ void FixWallReflectStochastic::wall_particle(int m, int which, double coord) } else if (rstyle == CCL) { if (dir != dim) - v[i][dir] = wallvel[m][dir] + - random->gaussian((1-wallaccom[m][dir]) * + v[i][dir] = wallvel[m][dir] + + random->gaussian((1-wallaccom[m][dir]) * (v[i][dir] - wallvel[m][dir]), - sqrt((2-wallaccom[m][dir]) * + sqrt((2-wallaccom[m][dir]) * wallaccom[m][dir]*theta)); else v[i][dir] = random->besselexp(theta,wallaccom[m][dir],v[i][dir]); } // update new position due to the new velocity - + if (dir != dim) x[i][dir] += v[i][dir]*timecol; else x[i][dir] = coord + v[i][dir]*timecol; } diff --git a/src/fix_wall_reflect.cpp b/src/fix_wall_reflect.cpp index 988179d06f..b17b68cd8d 100644 --- a/src/fix_wall_reflect.cpp +++ b/src/fix_wall_reflect.cpp @@ -32,7 +32,7 @@ using namespace FixConst; FixWallReflect::FixWallReflect(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg), nwall(0) -{ +{ if (narg < 4) error->all(FLERR,"Illegal fix wall/reflect command"); // let child class process all args diff --git a/src/fix_wall_reflect.h b/src/fix_wall_reflect.h index 0917cafd7b..5abfb6afcf 100644 --- a/src/fix_wall_reflect.h +++ b/src/fix_wall_reflect.h @@ -34,7 +34,7 @@ class FixWallReflect : public Fix { int setmask(); void init(); void post_integrate(); - + protected: int nwall; int wallwhich[6],wallstyle[6]; diff --git a/src/random_mars.cpp b/src/random_mars.cpp index 227a790a62..396cc7e9f1 100644 --- a/src/random_mars.cpp +++ b/src/random_mars.cpp @@ -120,7 +120,7 @@ double RanMars::gaussian() ------------------------------------------------------------------------- */ double RanMars::gaussian(double mu, double sigma) -{ +{ double v1; v1 = mu+sigma*gaussian(); return v1; @@ -133,7 +133,7 @@ double RanMars::gaussian(double mu, double sigma) double RanMars::rayleigh(double sigma) { double first,v1; - + if (sigma <= 0) error->all(FLERR,"Invalid Rayleigh parameter"); v1 = uniform(); @@ -151,17 +151,17 @@ double RanMars::besselexp(double theta, double alpha, double cp) if (theta < 0.0 || alpha < 0.0 || alpha < 1.0) error->all(FLERR,"Invalid Bessel exponential distribution parameters"); - + v1 = uniform(); v2 = uniform(); if (cp < 0.0) - first = sqrt((1.0-alpha)*cp*cp - 2.0*alpha*theta*log(v1) + - 2.0*sqrt(-2.0*theta*(1.0-alpha)*alpha*log(v1)) * + first = sqrt((1.0-alpha)*cp*cp - 2.0*alpha*theta*log(v1) + + 2.0*sqrt(-2.0*theta*(1.0-alpha)*alpha*log(v1)) * cos(2.0*MathConst::MY_PI*v2)*cp); else - first = -sqrt((1.0-alpha)*cp*cp - 2.0*alpha*theta*log(v1) - - 2.0*sqrt(-2.0*theta*(1.0-alpha)*alpha*log(v1)) * + first = -sqrt((1.0-alpha)*cp*cp - 2.0*alpha*theta*log(v1) - + 2.0*sqrt(-2.0*theta*(1.0-alpha)*alpha*log(v1)) * cos(2.0*MathConst::MY_PI*v2)*cp); return first;