From 2c3f9b111a4d3f78add249ec45f868edb99d8489 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 29 Jul 2020 21:36:24 -0400 Subject: [PATCH] whitespace cleanup: replace tabs and remove trailing blanks --- src/MC/fix_widom.h | 4 ++-- src/balance.cpp | 8 ++++---- src/comm_tiled.cpp | 30 +++++++++++++++--------------- 3 files changed, 21 insertions(+), 21 deletions(-) diff --git a/src/MC/fix_widom.h b/src/MC/fix_widom.h index 8dd77df28c..05060e76ac 100644 --- a/src/MC/fix_widom.h +++ b/src/MC/fix_widom.h @@ -32,7 +32,7 @@ class FixWidom : public Fix { int setmask(); void init(); void pre_exchange(); - + void attempt_atomic_insertion(); void attempt_molecule_insertion(); @@ -207,7 +207,7 @@ is on. E: Cannot use fix Widom in a 2d simulation -Fix Widom is set up to run in 3d only. No 2d simulations with fix Widom +Fix Widom is set up to run in 3d only. No 2d simulations with fix Widom are allowed. E: Could not find fix Widom exclusion group ID diff --git a/src/balance.cpp b/src/balance.cpp index 8c1e7a4ed7..d6579e9199 100644 --- a/src/balance.cpp +++ b/src/balance.cpp @@ -573,8 +573,8 @@ int *Balance::bisection(int sortflag) int triclinic = domain->triclinic; double *boxlo,*boxhi,*prd; - - if (triclinic == 0) { + + if (triclinic == 0) { boxlo = domain->boxlo; boxhi = domain->boxhi; prd = domain->prd; @@ -587,7 +587,7 @@ int *Balance::bisection(int sortflag) // shrink-wrap simulation box around atoms for input to RCB // leads to better-shaped sub-boxes when atoms are far from box boundaries // if triclinic, do this in lamda coords - + double shrink[6],shrinkall[6]; shrink[0] = boxhi[0]; shrink[1] = boxhi[1]; shrink[2] = boxhi[2]; @@ -597,7 +597,7 @@ int *Balance::bisection(int sortflag) int nlocal = atom->nlocal; if (triclinic) domain->x2lamda(nlocal); - + for (int i = 0; i < nlocal; i++) { shrink[0] = MIN(shrink[0],x[i][0]); shrink[1] = MIN(shrink[1],x[i][1]); diff --git a/src/comm_tiled.cpp b/src/comm_tiled.cpp index de02823ec8..b7878ea86a 100644 --- a/src/comm_tiled.cpp +++ b/src/comm_tiled.cpp @@ -98,7 +98,7 @@ void CommTiled::init() Comm::init(); nswap = 2 * domain->dimension; - + int bufextra_old = bufextra; init_exchange(); if (bufextra > bufextra_old) grow_send(maxsend+bufextra,2); @@ -192,7 +192,7 @@ void CommTiled::setup() cut = MIN(prd[0],prd[1]); if (dimension == 3) cut = MIN(cut,prd[2]); cut *= EPSILON*EPSILON; - cutghost[0] = cutghost[1] = cutghost[2] = cut; + cutghost[0] = cutghost[1] = cutghost[2] = cut; } // setup forward/reverse communication @@ -325,16 +325,16 @@ void CommTiled::setup() sbox[3] = MIN(oboxhi[0],hi1[0]); sbox[4] = MIN(oboxhi[1],hi1[1]); sbox[5] = MIN(oboxhi[2],hi1[2]); - + } else { pbc_flag[iswap][i] = 1; if (idir == 0) pbc[iswap][i][idim] = 1; else pbc[iswap][i][idim] = -1; - if (triclinic) { + if (triclinic) { if (idim == 1) pbc[iswap][i][5] = pbc[iswap][i][idim]; if (idim == 2) pbc[iswap][i][4] = pbc[iswap][i][3] = pbc[iswap][i][idim]; } - + sbox[0] = MAX(oboxlo[0],lo2[0]); sbox[1] = MAX(oboxlo[1],lo2[1]); sbox[2] = MAX(oboxlo[2],lo2[2]); @@ -346,7 +346,7 @@ void CommTiled::setup() if (idir == 0) { sbox[idim] = sublo[idim]; if (i < noverlap1) - sbox[3+idim] = MIN(sbox[3+idim]+cutghost[idim],subhi[idim]); + sbox[3+idim] = MIN(sbox[3+idim]+cutghost[idim],subhi[idim]); else sbox[3+idim] = MIN(sbox[3+idim]-prd[idim]+cutghost[idim],subhi[idim]); } else { if (i < noverlap1) sbox[idim] = MAX(sbox[idim]-cutghost[idim],sublo[idim]); @@ -370,7 +370,7 @@ void CommTiled::setup() } } - + // setup exchange communication = subset of forward/reverse comm procs // loop over dimensions // determine which procs I will exchange with in each dimension @@ -717,10 +717,10 @@ void CommTiled::exchange() buf_send[nsend++] = proc; nsend += avec->pack_exchange(i,&buf_send[nsend]); } else { - // DEBUG statment - // error->warning(FLERR,"Losing atom in CommTiled::exchange() send, " - // "likely bad dynamics"); - } + // DEBUG statment + // error->warning(FLERR,"Losing atom in CommTiled::exchange() send, " + // "likely bad dynamics"); + } avec->copy(nlocal-1,i,1); nlocal--; } else i++; @@ -769,10 +769,10 @@ void CommTiled::exchange() if (value >= lo && value < hi) { m += avec->unpack_exchange(&buf_recv[m]); continue; - } else { - // DEBUG statment - // error->warning(FLERR,"Losing atom in CommTiled::exchange() recv"); - } + } else { + // DEBUG statment + // error->warning(FLERR,"Losing atom in CommTiled::exchange() recv"); + } } m += static_cast (buf_recv[m]); }