diff --git a/src/LATBOLTZ/fix_lb_fluid.cpp b/src/LATBOLTZ/fix_lb_fluid.cpp index 0a959dfde1..21ac15a7ab 100644 --- a/src/LATBOLTZ/fix_lb_fluid.cpp +++ b/src/LATBOLTZ/fix_lb_fluid.cpp @@ -301,9 +301,7 @@ a z wall velocity without implementing fixed BCs in z"); } else if (strcmp(arg[iarg], "dof") == 0) { setdof = utils::inumeric(FLERR, arg[iarg + 1], false, lmp); iarg += 2; - } - // Santtu -- nano pits -- begins ----- - else if (strcmp(arg[iarg], "npits") == 0) { + } else if (strcmp(arg[iarg], "npits") == 0) { npits = utils::inumeric(FLERR, arg[iarg + 1], false, lmp); h_p = utils::inumeric(FLERR, arg[iarg + 2], false, lmp); l_p = utils::inumeric(FLERR, arg[iarg + 3], false, lmp); @@ -316,9 +314,7 @@ a z wall velocity without implementing fixed BCs in z"); } else if (strcmp(arg[iarg], "wp") == 0) { w_p = utils::inumeric(FLERR, arg[iarg + 1], false, lmp); iarg += 2; - } - // Santtu -- nano pits -- ends ----- - else + } else error->all(FLERR, "Illegal fix lb/fluid command"); } @@ -647,7 +643,7 @@ FixLbFluid::~FixLbFluid() // Close off output if (dump_interval) { if (me == 0) { - fprintf(dump_file_handle_xdmf," \n \n\n"); + fprintf(dump_file_handle_xdmf, " \n \n\n"); if (fclose(dump_file_handle_xdmf)) error->one(FLERR, "Unable to close \"{}\": {}", dump_file_name_xdmf, utils::getsyserror()); } @@ -1955,13 +1951,13 @@ void FixLbFluid::trilinear_interpolationweight(int i) //-------------------------------------------------------------------------- // Calculate the interpolation weights //-------------------------------------------------------------------------- - FfP[0] = (1. - dx1) * (1. - dy1) * (1. - dz1); - FfP[1] = (1. - dx1) * (1. - dy1) * dz1; - FfP[2] = (1. - dx1) * dy1 * (1. - dz1); - FfP[3] = (1. - dx1) * dy1 * dz1; - FfP[4] = dx1 * (1. - dy1) * (1. - dz1); - FfP[5] = dx1 * (1. - dy1) * dz1; - FfP[6] = dx1 * dy1 * (1. - dz1); + FfP[0] = (1.0 - dx1) * (1.0 - dy1) * (1.0 - dz1); + FfP[1] = (1.0 - dx1) * (1.0 - dy1) * dz1; + FfP[2] = (1.0 - dx1) * dy1 * (1.0 - dz1); + FfP[3] = (1.0 - dx1) * dy1 * dz1; + FfP[4] = dx1 * (1.0 - dy1) * (1.0 - dz1); + FfP[5] = dx1 * (1.0 - dy1) * dz1; + FfP[6] = dx1 * dy1 * (1.0 - dz1); FfP[7] = dx1 * dy1 * dz1; ixp = (ix + 1); @@ -2037,13 +2033,13 @@ void FixLbFluid::trilinear_interpolation(int i, int uonly) //-------------------------------------------------------------------------- // Calculate the interpolation weights //-------------------------------------------------------------------------- - FfP[0] = (1. - dx1) * (1. - dy1) * (1. - dz1); - FfP[1] = (1. - dx1) * (1. - dy1) * dz1; - FfP[2] = (1. - dx1) * dy1 * (1. - dz1); - FfP[3] = (1. - dx1) * dy1 * dz1; - FfP[4] = dx1 * (1. - dy1) * (1. - dz1); - FfP[5] = dx1 * (1. - dy1) * dz1; - FfP[6] = dx1 * dy1 * (1. - dz1); + FfP[0] = (1.0 - dx1) * (1.0 - dy1) * (1.0 - dz1); + FfP[1] = (1.0 - dx1) * (1.0 - dy1) * dz1; + FfP[2] = (1.0 - dx1) * dy1 * (1.0 - dz1); + FfP[3] = (1.0 - dx1) * dy1 * dz1; + FfP[4] = dx1 * (1.0 - dy1) * (1.0 - dz1); + FfP[5] = dx1 * (1.0 - dy1) * dz1; + FfP[6] = dx1 * dy1 * (1.0 - dz1); FfP[7] = dx1 * dy1 * dz1; ixp = (ix + 1); @@ -2572,25 +2568,18 @@ void FixLbFluid::write_restartfile(void) //========================================================================== void FixLbFluid::equilibriumdist15(int xstart, int xend, int ystart, int yend, int zstart, int zend) { + for (int i = xstart; i < xend; ++i) { + for (int j = ystart; j < yend; ++j) { + for (int k = zstart; k < zend; ++k) { - for (int i = xstart; i < xend; i++) { - for (int j = ystart; j < yend; j++) { - for (int k = zstart; k < zend; k++) { + if (sublattice[i][j][k].type != 2) { + const double rho = density_lb[i][j][k]; + const double p0 = rho * a_0; + const double tauR = tau - 0.5; - int type = sublattice[i][j][k].type; - //int ori = sublattice[i][j][k].orientation; - - if (type != 2) { - double rho = density_lb[i][j][k]; - - double p0 = rho * a_0; - - double tauR = tau; - tauR = (tau - 0.5); - - double Fx_w = Ff[i][j][k][0]; - double Fy_w = Ff[i][j][k][1]; - double Fz_w = Ff[i][j][k][2]; + const double Fx_w = Ff[i][j][k][0]; + const double Fy_w = Ff[i][j][k][1]; + const double Fz_w = Ff[i][j][k][2]; double etacov[15]; etacov[0] = rho; @@ -2598,11 +2587,11 @@ void FixLbFluid::equilibriumdist15(int xstart, int xend, int ystart, int yend, i etacov[2] = rho * u_lb[i][j][k][1] + (Fy_w + rho * bodyforcey) * tauR; etacov[3] = rho * u_lb[i][j][k][2] + (Fz_w + rho * bodyforcez) * tauR; - etacov[4] = p0 + rho * u_lb[i][j][k][0] * u_lb[i][j][k][0] - rho / 3. + + etacov[4] = p0 + rho * u_lb[i][j][k][0] * u_lb[i][j][k][0] - rho / 3.0 + tauR * (2.0 * u_lb[i][j][k][0] * (Fx_w + rho * bodyforcex)); - etacov[5] = p0 + rho * u_lb[i][j][k][1] * u_lb[i][j][k][1] - rho / 3. + + etacov[5] = p0 + rho * u_lb[i][j][k][1] * u_lb[i][j][k][1] - rho / 3.0 + tauR * (2.0 * u_lb[i][j][k][1] * (Fy_w + rho * bodyforcey)); - etacov[6] = p0 + rho * u_lb[i][j][k][2] * u_lb[i][j][k][2] - rho / 3. + + etacov[6] = p0 + rho * u_lb[i][j][k][2] * u_lb[i][j][k][2] - rho / 3.0 + tauR * (2.0 * u_lb[i][j][k][2] * (Fz_w + rho * bodyforcez)); etacov[7] = rho * u_lb[i][j][k][0] * u_lb[i][j][k][1] + tauR * @@ -2620,8 +2609,6 @@ void FixLbFluid::equilibriumdist15(int xstart, int xend, int ystart, int yend, i etacov[11] = 0.0; etacov[12] = 0.0; etacov[13] = rho * u_lb[i][j][k][0] * u_lb[i][j][k][1] * u_lb[i][j][k][2]; - //const double TrP = Pxx+Pyy+Pzz; - //etacov[14] = K_0*(rho-TrP); etacov[14] = K_0 * rho * (1.0 - 3.0 * a_0); // should be looked at if kappa != 0; for (int l = 0; l < 15; l++) { @@ -2631,9 +2618,9 @@ void FixLbFluid::equilibriumdist15(int xstart, int xend, int ystart, int yend, i } if (noisestress == 1) { - double stdv = sqrt(namp * rho); - + const double stdv = sqrt(namp * rho); double S[2][3]; + for (int jj = 0; jj < 3; jj++) S[0][jj] = stdv * random->gaussian(); for (int jj = 0; jj < 3; jj++) S[1][jj] = stdv * random->gaussian(); @@ -2655,7 +2642,7 @@ void FixLbFluid::equilibriumdist15(int xstart, int xend, int ystart, int yend, i -K_0 * (etacov[4] + etacov[5] + etacov[6]); //correction from noise to TrP for (int l = 0; l < 15; l++) { - double ghostnoise = w_lb15[l] * + const double ghostnoise = w_lb15[l] * (mg_lb15[4][l] * etacov[4] * Ng_lb15[4] + mg_lb15[5][l] * etacov[5] * Ng_lb15[5] + mg_lb15[6][l] * etacov[6] * Ng_lb15[6] + mg_lb15[7][l] * etacov[7] * Ng_lb15[7] + mg_lb15[8][l] * etacov[8] * Ng_lb15[8] + mg_lb15[9][l] * etacov[9] * Ng_lb15[9] + @@ -2681,35 +2668,18 @@ void FixLbFluid::equilibriumdist15(int xstart, int xend, int ystart, int yend, i //========================================================================== void FixLbFluid::equilibriumdist19(int xstart, int xend, int ystart, int yend, int zstart, int zend) { + for (int i = xstart; i < xend; ++i) { + for (int j = ystart; j < yend; ++j) { + for (int k = zstart; k < zend; ++k) { + const int iup = i + 1; + const int idwn = i - 1; + const int jup = j + 1; + const int jdwn = j - 1; + const int kup = k + 1; + const int kdwn = k - 1; - double rho; - int i, j, k, l, iup, idwn, jup, jdwn, kup, kdwn; - double Fx_w, Fy_w, Fz_w; - - double total_density(0.0); - double drhox, drhoy, drhoz, drhoxx, drhoyy, drhozz; - double Pxx, Pyy, Pzz, Pxy, Pxz, Pyz; - double grs, p0; - double dPdrho; - - double S[2][3], std; - int jj; - - double etacov[19], ghostnoise; - - for (i = xstart; i < xend; i++) { - iup = i + 1; - idwn = i - 1; - for (j = ystart; j < yend; j++) { - jup = j + 1; - jdwn = j - 1; - for (k = zstart; k < zend; k++) { - kup = k + 1; - kdwn = k - 1; - - rho = density_lb[i][j][k]; - total_density += rho; - + const double rho = density_lb[i][j][k]; + double drhox, drhoy, drhoz, drhoxx, drhoyy, drhozz; if (kappa_lb > 0) { // kappa_lb is the square gradient coeff in the pressure tensor // Derivatives. drhox = (density_lb[iup][j][k] - density_lb[idwn][j][k]) / 2.0; @@ -2723,6 +2693,7 @@ void FixLbFluid::equilibriumdist19(int xstart, int xend, int ystart, int yend, i // Need one-sided derivatives for the boundary of the domain, if fixed boundary // conditions are used. + if (domain->periodicity[2] == 0) { if (comm->myloc[2] == 0 && k == 1) { drhoz = (-3.0 * density_lb[i][j][k] + 4.0 * density_lb[i][j][k + 1] - @@ -2739,53 +2710,50 @@ void FixLbFluid::equilibriumdist19(int xstart, int xend, int ystart, int yend, i 5.0 * density_lb[i][j][k - 1] + 2.0 * rho); } } + // clang-format on } else { - drhox = drhoy = drhoz = 0; - drhoxx = drhoyy = drhozz = 0; + drhox = drhoy = drhoz = 0.0; + drhoxx = drhoyy = drhozz = 0.0; } + const double grs = drhox * drhox + drhoy * drhoy + drhoz * drhoz; + const double p0 = rho * a_0 - kappa_lb * rho * (drhoxx + drhoyy + drhozz); + const double dPdrho = a_0; //assuming here that kappa_lb = 0. + const double tauR = tau - 0.5; - grs = drhox * drhox + drhoy * drhoy + drhoz * drhoz; - - p0 = rho * a_0 - kappa_lb * rho * (drhoxx + drhoyy + drhozz); - - dPdrho = a_0; //assuming here that kappa_lb = 0. - - double tauR = tau; - tauR = tau - 0.5; - - Pxx = p0 + kappa_lb * (drhox * drhox - 0.5 * grs) + + const double Pxx = p0 + kappa_lb * (drhox * drhox - 0.5 * grs) + tauR * (1.0 / 3.0 - dPdrho) * (3.0 * u_lb[i][j][k][0] * drhox + u_lb[i][j][k][1] * drhoy + u_lb[i][j][k][2] * drhoz); - Pyy = p0 + kappa_lb * (drhoy * drhoy - 0.5 * grs) + + const double Pyy = p0 + kappa_lb * (drhoy * drhoy - 0.5 * grs) + tauR * (1.0 / 3.0 - dPdrho) * (u_lb[i][j][k][0] * drhox + 3.0 * u_lb[i][j][k][1] * drhoy + u_lb[i][j][k][2] * drhoz); - Pzz = p0 + kappa_lb * (drhoz * drhoz - 0.5 * grs) + + const double Pzz = p0 + kappa_lb * (drhoz * drhoz - 0.5 * grs) + tauR * (1.0 / 3.0 - dPdrho) * (u_lb[i][j][k][0] * drhox + u_lb[i][j][k][1] * drhoy + 3.0 * u_lb[i][j][k][2] * drhoz); - Pxy = kappa_lb * drhox * drhoy + + const double Pxy = kappa_lb * drhox * drhoy + tauR * (1.0 / 3.0 - dPdrho) * (u_lb[i][j][k][0] * drhoy + u_lb[i][j][k][1] * drhox); - Pxz = kappa_lb * drhox * drhoz + + const double Pxz = kappa_lb * drhox * drhoz + tauR * (1.0 / 3.0 - dPdrho) * (u_lb[i][j][k][0] * drhoz + u_lb[i][j][k][2] * drhox); - Pyz = kappa_lb * drhoy * drhoz + + const double Pyz = kappa_lb * drhoy * drhoz + tauR * (1.0 / 3.0 - dPdrho) * (u_lb[i][j][k][1] * drhoz + u_lb[i][j][k][2] * drhoy); - Fx_w = Ff[i][j][k][0]; - Fy_w = Ff[i][j][k][1]; - Fz_w = Ff[i][j][k][2]; + const double Fx_w = Ff[i][j][k][0]; + const double Fy_w = Ff[i][j][k][1]; + const double Fz_w = Ff[i][j][k][2]; + double etacov[19]; etacov[0] = rho; etacov[1] = rho * u_lb[i][j][k][0] + (Fx_w + rho * bodyforcex) * tauR; etacov[2] = rho * u_lb[i][j][k][1] + (Fy_w + rho * bodyforcey) * tauR; etacov[3] = rho * u_lb[i][j][k][2] + (Fz_w + rho * bodyforcez) * tauR; - etacov[4] = Pxx + rho * u_lb[i][j][k][0] * u_lb[i][j][k][0] - rho / 3. + + etacov[4] = Pxx + rho * u_lb[i][j][k][0] * u_lb[i][j][k][0] - rho / 3.0 + tauR * (2.0 * u_lb[i][j][k][0] * (Fx_w + rho * bodyforcex)); - etacov[5] = Pyy + rho * u_lb[i][j][k][1] * u_lb[i][j][k][1] - rho / 3. + + etacov[5] = Pyy + rho * u_lb[i][j][k][1] * u_lb[i][j][k][1] - rho / 3.0 + tauR * (2.0 * u_lb[i][j][k][1] * (Fy_w + rho * bodyforcey)); - etacov[6] = Pzz + rho * u_lb[i][j][k][2] * u_lb[i][j][k][2] - rho / 3. + + etacov[6] = Pzz + rho * u_lb[i][j][k][2] * u_lb[i][j][k][2] - rho / 3.0 + tauR * (2.0 * u_lb[i][j][k][2] * (Fz_w + rho * bodyforcez)); etacov[7] = Pxy + rho * u_lb[i][j][k][0] * u_lb[i][j][k][1] + tauR * @@ -2809,17 +2777,18 @@ void FixLbFluid::equilibriumdist19(int xstart, int xend, int ystart, int yend, i etacov[17] = 0.0; etacov[18] = 0.0; - for (l = 0; l < 19; l++) { + for (int l = 0; l < 19; l++) { feq[i][j][k][l] = 0.0; for (int ii = 0; ii < 19; ii++) feq[i][j][k][l] += w_lb19[l] * mg_lb19[ii][l] * etacov[ii] * Ng_lb19[ii]; } if (noisestress == 1) { - std = sqrt(namp * rho); + const double std = sqrt(namp * rho); + double S[2][3]; - for (jj = 0; jj < 3; jj++) S[0][jj] = std * random->gaussian(); - for (jj = 0; jj < 3; jj++) S[1][jj] = std * random->gaussian(); + for (int jj = 0; jj < 3; jj++) S[0][jj] = std * random->gaussian(); + for (int jj = 0; jj < 3; jj++) S[1][jj] = std * random->gaussian(); etacov[4] = (S[0][0] * sqrt(3.0 - 3.0 * a_0)); etacov[5] = ((1.0 - 3.0 * a_0) * S[0][0] / sqrt(3.0 - 3.0 * a_0) + @@ -2831,12 +2800,12 @@ void FixLbFluid::equilibriumdist19(int xstart, int xend, int ystart, int yend, i etacov[8] = S[1][1]; etacov[9] = S[1][2]; - for (l = 10; l < 19; l++) { + for (int l = 10; l < 19; l++) { etacov[l] = sqrt(9.0 * namp * rho / Ng_lb19[l]) * random->gaussian(); } - for (l = 0; l < 19; l++) { - ghostnoise = w_lb19[l] * + for (int l = 0; l < 19; l++) { + const double ghostnoise = w_lb19[l] * (mg_lb19[4][l] * etacov[4] * Ng_lb19[4] + mg_lb19[5][l] * etacov[5] * Ng_lb19[5] + mg_lb19[6][l] * etacov[6] * Ng_lb19[6] + mg_lb19[7][l] * etacov[7] * Ng_lb19[7] + mg_lb19[8][l] * etacov[8] * Ng_lb19[8] + mg_lb19[9][l] * etacov[9] * Ng_lb19[9] + @@ -3210,7 +3179,7 @@ void FixLbFluid::update_periodic(int xstart, int xend, int ystart, int yend, int fnew[i][j][k][2] = r * feq[i][j][k][2]; fnew[i][j][k][4] = r * feq[i][j][k][4]; fnew[i][j][k][0] = rb - - 2. * + 2.0 * (fnew[i][j][k][6] + fnew[i][j][k][11] + fnew[i][j][k][12] + fnew[i][j][k][13] + fnew[i][j][k][14] + fnew[i][j][k][2] + fnew[i][j][k][4]) + @@ -3218,15 +3187,16 @@ void FixLbFluid::update_periodic(int xstart, int xend, int ystart, int yend, int fnew[i][j][k][1] = 0.5 * (fnew[i][j][k][2] + fnew[i][j][k][4] - rvw2); fnew[i][j][k][3] = fnew[i][j][k][1]; fnew[i][j][k][5] = fnew[i][j][k][6] + - 2. * + 2.0 * (fnew[i][j][k][11] + fnew[i][j][k][12] + fnew[i][j][k][13] + fnew[i][j][k][14]) + fnew[i][j][k][2] + fnew[i][j][k][4] - seqyy; - fnew[i][j][k][7] = 0.25 * (rbvw + seqyy - 2. * fnew[i][j][k][2]) - fnew[i][j][k][11]; - fnew[i][j][k][8] = 0.25 * (rbvw + seqyy - 2. * fnew[i][j][k][2]) - fnew[i][j][k][12]; - fnew[i][j][k][9] = 0.25 * (-rbvw + seqyy - 2. * fnew[i][j][k][4]) - fnew[i][j][k][13]; + fnew[i][j][k][7] = 0.25 * (rbvw + seqyy - 2.0 * fnew[i][j][k][2]) - fnew[i][j][k][11]; + fnew[i][j][k][8] = 0.25 * (rbvw + seqyy - 2.0 * fnew[i][j][k][2]) - fnew[i][j][k][12]; + fnew[i][j][k][9] = + 0.25 * (-rbvw + seqyy - 2.0 * fnew[i][j][k][4]) - fnew[i][j][k][13]; fnew[i][j][k][10] = - 0.25 * (-rbvw + seqyy - 2. * fnew[i][j][k][4]) - fnew[i][j][k][14]; + 0.25 * (-rbvw + seqyy - 2.0 * fnew[i][j][k][4]) - fnew[i][j][k][14]; } else { // top wall modified return (ori should now be 16 or something is messed up) double rb, rbvw, rvw2, seqyy, r; @@ -3246,21 +3216,22 @@ void FixLbFluid::update_periodic(int xstart, int xend, int ystart, int yend, int fnew[i][j][k][2] = r * feq[i][j][k][2]; fnew[i][j][k][4] = r * feq[i][j][k][4]; fnew[i][j][k][0] = rb - - 2. * + 2.0 * (fnew[i][j][k][5] + fnew[i][j][k][7] + fnew[i][j][k][8] + fnew[i][j][k][9] + fnew[i][j][k][10] + fnew[i][j][k][2] + fnew[i][j][k][4]) + rvw2; fnew[i][j][k][1] = 0.5 * (fnew[i][j][k][2] + fnew[i][j][k][4] - rvw2); fnew[i][j][k][3] = fnew[i][j][k][1]; fnew[i][j][k][6] = fnew[i][j][k][5] + - 2. * + 2.0 * (fnew[i][j][k][7] + fnew[i][j][k][8] + fnew[i][j][k][9] + fnew[i][j][k][10]) + fnew[i][j][k][2] + fnew[i][j][k][4] - seqyy; - fnew[i][j][k][11] = 0.25 * (rbvw + seqyy - 2. * fnew[i][j][k][2]) - fnew[i][j][k][7]; - fnew[i][j][k][12] = 0.25 * (rbvw + seqyy - 2. * fnew[i][j][k][2]) - fnew[i][j][k][8]; - fnew[i][j][k][13] = 0.25 * (-rbvw + seqyy - 2. * fnew[i][j][k][4]) - fnew[i][j][k][9]; + fnew[i][j][k][11] = 0.25 * (rbvw + seqyy - 2.0 * fnew[i][j][k][2]) - fnew[i][j][k][7]; + fnew[i][j][k][12] = 0.25 * (rbvw + seqyy - 2.0 * fnew[i][j][k][2]) - fnew[i][j][k][8]; + fnew[i][j][k][13] = + 0.25 * (-rbvw + seqyy - 2.0 * fnew[i][j][k][4]) - fnew[i][j][k][9]; fnew[i][j][k][14] = - 0.25 * (-rbvw + seqyy - 2. * fnew[i][j][k][4]) - fnew[i][j][k][10]; + 0.25 * (-rbvw + seqyy - 2.0 * fnew[i][j][k][4]) - fnew[i][j][k][10]; } } else { for (int m = 0; m < 19; m++) { @@ -3296,7 +3267,6 @@ void FixLbFluid::update_full15(void) MPI_Isend(&feq[subNbx - 2][1][1][0], 1, passxf, comm->procneigh[0][1], 25, world, &requests[2]); MPI_Irecv(&feq[subNbx - 1][1][1][0], 1, passxf, comm->procneigh[0][1], 15, world, &requests[3]); - //if (npits == -1) update_periodic(2,subNbx-2,2,subNby-2,2,subNbz-2); MPI_Waitall(numrequests, requests, MPI_STATUS_IGNORE); for (int i = 0; i < numrequests; i++) requests[i] = MPI_REQUEST_NULL; @@ -3305,10 +3275,6 @@ void FixLbFluid::update_full15(void) MPI_Isend(&feq[0][subNby - 2][1][0], 1, passyf, comm->procneigh[1][1], 25, world, &requests[2]); MPI_Irecv(&feq[0][subNby - 1][1][0], 1, passyf, comm->procneigh[1][1], 15, world, &requests[3]); - // if (npits == -1) { - // update_periodic(1,2,2,subNby-2,2,subNbz-2); - // update_periodic(subNbx-2,subNbx-1,2,subNby-2,2,subNbz-2); - // } MPI_Waitall(numrequests, requests, MPI_STATUS_IGNORE); for (int i = 0; i < numrequests; i++) requests[i] = MPI_REQUEST_NULL; @@ -3317,19 +3283,13 @@ void FixLbFluid::update_full15(void) MPI_Isend(&feq[0][0][subNbz - 2][0], 1, passzf, comm->procneigh[2][1], 25, world, &requests[2]); MPI_Irecv(&feq[0][0][subNbz - 1][0], 1, passzf, comm->procneigh[2][1], 15, world, &requests[3]); - // if (npits == -1) { - // update_periodic(1,subNbx-1,1,2,2,subNbz-2); - // update_periodic(1,subNbx-1,subNby-2,subNby-1,2,subNbz-2); - // } MPI_Waitall(numrequests, requests, MPI_STATUS_IGNORE); - // if (npits != -1) { update_periodic(2, subNbx - 2, 2, subNby - 2, 2, subNbz - 2); update_periodic(1, 2, 2, subNby - 2, 2, subNbz - 2); update_periodic(subNbx - 2, subNbx - 1, 2, subNby - 2, 2, subNbz - 2); update_periodic(1, subNbx - 1, 1, 2, 2, subNbz - 2); update_periodic(1, subNbx - 1, subNby - 2, subNby - 1, 2, subNbz - 2); - //} update_periodic(1, subNbx - 1, 1, subNby - 1, 1, 2); update_periodic(1, subNbx - 1, 1, subNby - 1, subNbz - 2, subNbz - 1); @@ -4388,7 +4348,6 @@ void FixLbFluid::addpit(int &x0, const int HS, const int HP, const int WP, const } } x0 += (xend - x0) + 1; - //x0 += LP+1; } /* nanopit routines end */ @@ -4499,8 +4458,6 @@ double FixLbFluid::compute_scalar() /* Based on same member of compute_temp clas double t = 0.0; - //calc_fluidforceII(); - if (rmass) { for (int i = 0; i < nlocal; i++) if (mask[i] & groupbit) { @@ -4529,8 +4486,6 @@ double FixLbFluid::compute_vector(int n) if (laststep != update->ntimestep) { laststep = update->ntimestep; - //if (me==0) std::cout << "recalculating...\n"; - double fluidmass, fluidmomentum[3]; calc_MPT(fluidmass, fluidmomentum, Tav);