From d60c630e56ef458929c5800020f2856fc078684d Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 15:05:06 -0400 Subject: [PATCH] cosmetic changes: whitespace and include file order --- src/USER-MISC/pair_dpd_ext.cpp | 30 ++++++++++++++-------------- src/USER-MISC/pair_dpd_ext_tstat.cpp | 22 ++++++++++---------- 2 files changed, 26 insertions(+), 26 deletions(-) diff --git a/src/USER-MISC/pair_dpd_ext.cpp b/src/USER-MISC/pair_dpd_ext.cpp index e5405cf071..ee03a6d1b9 100644 --- a/src/USER-MISC/pair_dpd_ext.cpp +++ b/src/USER-MISC/pair_dpd_ext.cpp @@ -20,17 +20,17 @@ ------------------------------------------------------------------------- */ #include "pair_dpd_ext.h" -#include #include "atom.h" #include "comm.h" -#include "update.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "random_mars.h" -#include "memory.h" #include "error.h" +#include "force.h" +#include "memory.h" +#include "neigh_list.h" +#include "neighbor.h" +#include "random_mars.h" +#include "update.h" +#include using namespace LAMMPS_NS; @@ -126,23 +126,23 @@ void PairDPDExt::compute(int eflag, int vflag) delvy = vytmp - v[j][1]; delvz = vztmp - v[j][2]; dot = delx*delvx + dely*delvy + delz*delvz; - + P[0][0] = 1.0 - delx*delx*rinv*rinv; P[0][1] = - delx*dely*rinv*rinv; P[0][2] = - delx*delz*rinv*rinv; - + P[1][0] = P[0][1]; P[1][1] = 1.0 - dely*dely*rinv*rinv; P[1][2] = - dely*delz*rinv*rinv; - + P[2][0] = P[0][2]; P[2][1] = P[1][2]; P[2][2] = 1.0 - delz*delz*rinv*rinv; - + wd = 1.0 - r/cut[itype][jtype]; wdPar = pow(wd,ws[itype][jtype]); wdPerp = pow(wd,wsT[itype][jtype]); - + randnum = random->gaussian(); randnumx = random->gaussian(); randnumy = random->gaussian(); @@ -156,7 +156,7 @@ void PairDPDExt::compute(int eflag, int vflag) // random force - parallel fpair += sigma[itype][jtype]*wdPar*randnum*dtinvsqrt; - + fpairx = fpair*rinv*delx; fpairy = fpair*rinv*dely; fpairz = fpair*rinv*delz; @@ -176,7 +176,7 @@ void PairDPDExt::compute(int eflag, int vflag) (P[1][0]*randnumx + P[1][1]*randnumy + P[1][2]*randnumz)*dtinvsqrt; fpairz += sigmaT[itype][jtype]*wdPerp* (P[2][0]*randnumx + P[2][1]*randnumy + P[2][2]*randnumz)*dtinvsqrt; - + fpairx *= factor_dpd; fpairy *= factor_dpd; fpairz *= factor_dpd; @@ -190,7 +190,7 @@ void PairDPDExt::compute(int eflag, int vflag) f[j][2] -= fpairz; } - if (eflag) { + if (eflag) { // unshifted eng of conservative term: // evdwl = -a0[itype][jtype]*r * (1.0-0.5*r/cut[itype][jtype]); // eng shifted to 0.0 at cutoff diff --git a/src/USER-MISC/pair_dpd_ext_tstat.cpp b/src/USER-MISC/pair_dpd_ext_tstat.cpp index 5449ca7358..a9f66fb38c 100644 --- a/src/USER-MISC/pair_dpd_ext_tstat.cpp +++ b/src/USER-MISC/pair_dpd_ext_tstat.cpp @@ -17,15 +17,15 @@ #include "pair_dpd_ext_tstat.h" -#include #include "atom.h" -#include "update.h" +#include "comm.h" +#include "error.h" #include "force.h" #include "neigh_list.h" -#include "comm.h" #include "random_mars.h" -#include "error.h" +#include "update.h" +#include using namespace LAMMPS_NS; @@ -114,23 +114,23 @@ void PairDPDExtTstat::compute(int eflag, int vflag) delvy = vytmp - v[j][1]; delvz = vztmp - v[j][2]; dot = delx*delvx + dely*delvy + delz*delvz; - + P[0][0] = 1.0 - delx*delx*rinv*rinv; P[0][1] = - delx*dely*rinv*rinv; P[0][2] = - delx*delz*rinv*rinv; - + P[1][0] = P[0][1]; P[1][1] = 1.0 - dely*dely*rinv*rinv; P[1][2] = - dely*delz*rinv*rinv; - + P[2][0] = P[0][2]; P[2][1] = P[1][2]; P[2][2] = 1.0 - delz*delz*rinv*rinv; - + wd = 1.0 - r/cut[itype][jtype]; wdPar = pow(wd,ws[itype][jtype]); wdPerp = pow(wd,wsT[itype][jtype]); - + randnum = random->gaussian(); randnumx = random->gaussian(); randnumy = random->gaussian(); @@ -141,7 +141,7 @@ void PairDPDExtTstat::compute(int eflag, int vflag) // random force - parallel fpair += sigma[itype][jtype]*wdPar*randnum*dtinvsqrt; - + fpairx = fpair*rinv*delx; fpairy = fpair*rinv*dely; fpairz = fpair*rinv*delz; @@ -161,7 +161,7 @@ void PairDPDExtTstat::compute(int eflag, int vflag) (P[1][0]*randnumx + P[1][1]*randnumy + P[1][2]*randnumz)*dtinvsqrt; fpairz += sigmaT[itype][jtype]*wdPerp* (P[2][0]*randnumx + P[2][1]*randnumy + P[2][2]*randnumz)*dtinvsqrt; - + fpairx *= factor_dpd; fpairy *= factor_dpd; fpairz *= factor_dpd;