tx258/lammps-gran-kokkos
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Clarifying trace notation in fabric

Browse Source
This commit is contained in:
jtclemm
2024-02-23 14:45:21 -07:00
parent dd4cd240df
commit 6ea1bcf9d9
1 changed files with 26 additions and 26 deletions
Download Patch File Download Diff File Expand all files Collapse all files

52
src/GRANULAR/compute_fabric.cpp
View File

@ -184,7 +184,7 @@ void ComputeFabric::compute_vector()
double nx, ny, nz;
double ncinv, denom, fn, ft, prefactor;
double br_tensor[6], ft_tensor[6], fn_tensor[6];
double trace_phi, trace_D, trace_Xfn, trace_Xft;
double trace_third_phi, trace_third_D, trace_third_Xfn, trace_third_Xft;
double phi_ij[6] = {0.0};
double Ac_ij[6] = {0.0};
double D_ij[6] = {0.0};
@ -295,11 +295,11 @@ void ComputeFabric::compute_vector()
MPI_Allreduce(phi_ij, temp_dbl, 6, MPI_DOUBLE, MPI_SUM, world);
for (i = 0; i < 6; i++) phi_ij[i] = temp_dbl[i] * ncinv;
trace_phi = (1.0 / 3.0) * (phi_ij[0] + phi_ij[1] + phi_ij[2]);
trace_third_phi = (1.0 / 3.0) * (phi_ij[0] + phi_ij[1] + phi_ij[2]);
Ac_ij[0] = (15.0 / 2.0) * (phi_ij[0] - trace_phi);
Ac_ij[1] = (15.0 / 2.0) * (phi_ij[1] - trace_phi);
Ac_ij[2] = (15.0 / 2.0) * (phi_ij[2] - trace_phi);
Ac_ij[0] = (15.0 / 2.0) * (phi_ij[0] - trace_third_phi);
Ac_ij[1] = (15.0 / 2.0) * (phi_ij[1] - trace_third_phi);
Ac_ij[2] = (15.0 / 2.0) * (phi_ij[2] - trace_third_phi);
Ac_ij[3] = (15.0 / 2.0) * (phi_ij[3]);
Ac_ij[4] = (15.0 / 2.0) * (phi_ij[4]);
Ac_ij[5] = (15.0 / 2.0) * (phi_ij[5]);
@ -419,14 +419,14 @@ void ComputeFabric::compute_vector()
MPI_Allreduce(D_ij, temp_dbl, 6, MPI_DOUBLE, MPI_SUM, world);
for (i = 0; i < 6; i++) D_ij[i] = temp_dbl[i];
trace_D = (1.0 / 3.0) * (D_ij[0] + D_ij[1] + D_ij[2]);
trace_third_D = (1.0 / 3.0) * (D_ij[0] + D_ij[1] + D_ij[2]);
br_tensor[0] = (15.0 / (6.0 * trace_D)) * (D_ij[0] - trace_D);
br_tensor[1] = (15.0 / (6.0 * trace_D)) * (D_ij[1] - trace_D);
br_tensor[2] = (15.0 / (6.0 * trace_D)) * (D_ij[2] - trace_D);
br_tensor[3] = (15.0 / (6.0 * trace_D)) * (D_ij[3]);
br_tensor[4] = (15.0 / (6.0 * trace_D)) * (D_ij[4]);
br_tensor[5] = (15.0 / (6.0 * trace_D)) * (D_ij[5]);
br_tensor[0] = (15.0 / (6.0 * trace_third_D)) * (D_ij[0] - trace_third_D);
br_tensor[1] = (15.0 / (6.0 * trace_third_D)) * (D_ij[1] - trace_third_D);
br_tensor[2] = (15.0 / (6.0 * trace_third_D)) * (D_ij[2] - trace_third_D);
br_tensor[3] = (15.0 / (6.0 * trace_third_D)) * (D_ij[3]);
br_tensor[4] = (15.0 / (6.0 * trace_third_D)) * (D_ij[4]);
br_tensor[5] = (15.0 / (6.0 * trace_third_D)) * (D_ij[5]);
for (i = 0; i < ntensors; i++) {
if (tensor_style[i] == BR) {
@ -439,17 +439,17 @@ void ComputeFabric::compute_vector()
MPI_Allreduce(Xfn_ij, temp_dbl, 6, MPI_DOUBLE, MPI_SUM, world);
for (i = 0; i < 6; i++) Xfn_ij[i] = temp_dbl[i];
trace_Xfn = (1.0 / 3.0) * (Xfn_ij[0] + Xfn_ij[1] + Xfn_ij[2]);
trace_third_Xfn = (1.0 / 3.0) * (Xfn_ij[0] + Xfn_ij[1] + Xfn_ij[2]);
}
if (fn_flag) {
fn_tensor[0] = (15.0 / (6.0 * trace_Xfn)) * (Xfn_ij[0] - trace_Xfn);
fn_tensor[1] = (15.0 / (6.0 * trace_Xfn)) * (Xfn_ij[1] - trace_Xfn);
fn_tensor[2] = (15.0 / (6.0 * trace_Xfn)) * (Xfn_ij[2] - trace_Xfn);
fn_tensor[3] = (15.0 / (6.0 * trace_Xfn)) * (Xfn_ij[3]);
fn_tensor[4] = (15.0 / (6.0 * trace_Xfn)) * (Xfn_ij[4]);
fn_tensor[5] = (15.0 / (6.0 * trace_Xfn)) * (Xfn_ij[5]);
fn_tensor[0] = (15.0 / (6.0 * trace_third_Xfn)) * (Xfn_ij[0] - trace_third_Xfn);
fn_tensor[1] = (15.0 / (6.0 * trace_third_Xfn)) * (Xfn_ij[1] - trace_third_Xfn);
fn_tensor[2] = (15.0 / (6.0 * trace_third_Xfn)) * (Xfn_ij[2] - trace_third_Xfn);
fn_tensor[3] = (15.0 / (6.0 * trace_third_Xfn)) * (Xfn_ij[3]);
fn_tensor[4] = (15.0 / (6.0 * trace_third_Xfn)) * (Xfn_ij[4]);
fn_tensor[5] = (15.0 / (6.0 * trace_third_Xfn)) * (Xfn_ij[5]);
for (i = 0; i < ntensors; i++) {
if (tensor_style[i] == FN) {
@ -462,14 +462,14 @@ void ComputeFabric::compute_vector()
MPI_Allreduce(Xft_ij, temp_dbl, 6, MPI_DOUBLE, MPI_SUM, world);
for (i = 0; i < 6; i++) Xft_ij[i] = temp_dbl[i];
trace_Xft = (1.0 / 3.0) * (Xft_ij[0] + Xft_ij[1] + Xft_ij[2]);
trace_third_Xft = (1.0 / 3.0) * (Xft_ij[0] + Xft_ij[1] + Xft_ij[2]);
ft_tensor[0] = (15.0 / (9.0 * trace_Xfn)) * (Xft_ij[0] - trace_Xft);
ft_tensor[1] = (15.0 / (9.0 * trace_Xfn)) * (Xft_ij[1] - trace_Xft);
ft_tensor[2] = (15.0 / (9.0 * trace_Xfn)) * (Xft_ij[2] - trace_Xft);
ft_tensor[3] = (15.0 / (9.0 * trace_Xfn)) * (Xft_ij[3]);
ft_tensor[4] = (15.0 / (9.0 * trace_Xfn)) * (Xft_ij[4]);
ft_tensor[5] = (15.0 / (9.0 * trace_Xfn)) * (Xft_ij[5]);
ft_tensor[0] = (15.0 / (9.0 * trace_third_Xfn)) * (Xft_ij[0] - trace_third_Xft);
ft_tensor[1] = (15.0 / (9.0 * trace_third_Xfn)) * (Xft_ij[1] - trace_third_Xft);
ft_tensor[2] = (15.0 / (9.0 * trace_third_Xfn)) * (Xft_ij[2] - trace_third_Xft);
ft_tensor[3] = (15.0 / (9.0 * trace_third_Xfn)) * (Xft_ij[3]);
ft_tensor[4] = (15.0 / (9.0 * trace_third_Xfn)) * (Xft_ij[4]);
ft_tensor[5] = (15.0 / (9.0 * trace_third_Xfn)) * (Xft_ij[5]);
for (i = 0; i < ntensors; i++) {
if (tensor_style[i] == FT) {