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Fixed issue with not setting i-j, j-i coefficients correctly

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This commit is contained in:
Dan S. Bolintineanu
2019-01-30 08:37:04 -07:00
parent 26eb17aa50
commit e195d6faee
2 changed files with 33 additions and 33 deletions
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28
src/GRANULAR/pair_granular.cpp
View File

@ -1571,22 +1571,22 @@ void PairGranular::coeff(int narg, char **arg)
for (int i = ilo; i <= ihi; i++) {
for (int j = MAX(jlo,i); j <= jhi; j++) {
normal_coeffs[i][j][0] = normal_coeffs_local[0];
normal_coeffs[i][j][1] = damp;
normal_coeffs[i][j][0] = normal_coeffs[j][i][0] = normal_coeffs_local[0];
normal_coeffs[i][j][1] = normal_coeffs[j][i][1] = damp;
if (normal != HERTZ && normal != HOOKE) normal_coeffs[i][j][2] = normal_coeffs_local[2];
if ((normal == JKR) || (normal == DMT))
normal_coeffs[i][j][3] = normal_coeffs_local[3];
normal_coeffs[i][j][3] = normal_coeffs[j][i][3] = normal_coeffs_local[3];
for (int k = 0; k < 3; k++)
tangential_coeffs[i][j][k] = tangential_coeffs_local[k];
tangential_coeffs[i][j][k] = tangential_coeffs[j][i][k] = tangential_coeffs_local[k];
if (roll != ROLL_NONE)
for (int k = 0; k < 3; k++)
roll_coeffs[i][j][k] = roll_coeffs_local[k];
roll_coeffs[i][j][k] = roll_coeffs[j][i][k] = roll_coeffs_local[k];
if (twist != TWIST_NONE && twist != TWIST_MARSHALL)
for (int k = 0; k < 3; k++)
twist_coeffs[i][j][k] = twist_coeffs_local[k];
twist_coeffs[i][j][k] = twist_coeffs[j][i][k] = twist_coeffs_local[k];
setflag[i][j] = 1;
count++;
@ -1746,31 +1746,31 @@ double PairGranular::init_one(int i, int j)
if (setflag[i][j] == 0) {
if (normal != HOOKE && normal != HERTZ){
normal_coeffs[i][j][0] = mix_stiffnessE(normal_coeffs[i][i][0], normal_coeffs[j][j][0],
normal_coeffs[i][j][0] = normal_coeffs[j][i][0] = mix_stiffnessE(normal_coeffs[i][i][0], normal_coeffs[j][j][0],
normal_coeffs[i][i][2], normal_coeffs[j][j][2]);
normal_coeffs[i][j][2] = mix_stiffnessG(normal_coeffs[i][i][0], normal_coeffs[j][j][0],
normal_coeffs[i][j][2] = normal_coeffs[j][i][2] = mix_stiffnessG(normal_coeffs[i][i][0], normal_coeffs[j][j][0],
normal_coeffs[i][i][2], normal_coeffs[j][j][2]);
}
else{
normal_coeffs[i][j][0] = mix_geom(normal_coeffs[i][i][0], normal_coeffs[j][j][0]);
normal_coeffs[i][j][0] = normal_coeffs[j][i][0] = mix_geom(normal_coeffs[i][i][0], normal_coeffs[j][j][0]);
}
normal_coeffs[i][j][1] = mix_geom(normal_coeffs[i][i][1], normal_coeffs[j][j][1]);
normal_coeffs[i][j][1] = normal_coeffs[j][i][1] = mix_geom(normal_coeffs[i][i][1], normal_coeffs[j][j][1]);
if ((normal == JKR) || (normal == DMT))
normal_coeffs[i][j][3] = mix_geom(normal_coeffs[i][i][3], normal_coeffs[j][j][3]);
normal_coeffs[i][j][3] = normal_coeffs[j][i][3] = mix_geom(normal_coeffs[i][i][3], normal_coeffs[j][j][3]);
for (int k = 0; k < 3; k++)
tangential_coeffs[i][j][k] = mix_geom(tangential_coeffs[i][i][k], tangential_coeffs[j][j][k]);
tangential_coeffs[i][j][k] = tangential_coeffs[j][i][k] = mix_geom(tangential_coeffs[i][i][k], tangential_coeffs[j][j][k]);
if (roll != ROLL_NONE){
for (int k = 0; k < 3; k++)
roll_coeffs[i][j][k] = mix_geom(roll_coeffs[i][i][k], roll_coeffs[j][j][k]);
roll_coeffs[i][j][k] = roll_coeffs[j][i][k] = mix_geom(roll_coeffs[i][i][k], roll_coeffs[j][j][k]);
}
if (twist != TWIST_NONE && twist != TWIST_MARSHALL){
for (int k = 0; k < 3; k++)
twist_coeffs[i][j][k] = mix_geom(twist_coeffs[i][i][k], twist_coeffs[j][j][k]);
twist_coeffs[i][j][k] = twist_coeffs[j][i][k] = mix_geom(twist_coeffs[i][i][k], twist_coeffs[j][j][k]);
}
}

38
src/GRANULAR/pair_granular_multi.cpp
View File

@ -841,28 +841,28 @@ void PairGranularMulti::coeff(int narg, char **arg)
for (int i = ilo; i <= ihi; i++) {
for (int j = MAX(jlo,i); j <= jhi; j++) {
normal[i][j] = normal_local;
normal_coeffs[i][j][0] = normal_coeffs_local[0];
normal_coeffs[i][j][1] = damp;
normal[i][j] = normal[j][i] = normal_local;
normal_coeffs[i][j][0] = normal_coeffs[j][i][0] = normal_coeffs_local[0];
normal_coeffs[i][j][1] = normal_coeffs[j][i][1] = damp;
if (normal_local != HERTZ && normal_local != HOOKE) normal_coeffs[i][j][2] = normal_coeffs_local[2];
if ((normal_local == JKR) || (normal_local == DMT))
normal_coeffs[i][j][3] = normal_coeffs_local[3];
normal_coeffs[i][j][3] = normal_coeffs[j][i][3] = normal_coeffs_local[3];
damping[i][j] = damping_local;
damping[i][j] = damping[j][i] = damping_local;
tangential[i][j] = tangential_local;
tangential[i][j] = tangential[j][i] = tangential_local;
for (int k = 0; k < 3; k++)
tangential_coeffs[i][j][k] = tangential_coeffs_local[k];
tangential_coeffs[i][j][k] = tangential_coeffs[j][i][k] = tangential_coeffs_local[k];
roll[i][j] = roll_local;
roll[i][j] = roll[j][i] = roll_local;
if (roll_local != ROLL_NONE)
for (int k = 0; k < 3; k++)
roll_coeffs[i][j][k] = roll_coeffs_local[k];
roll_coeffs[i][j][k] = roll_coeffs[j][i][k] = roll_coeffs_local[k];
twist[i][j] = twist_local;
twist[i][j] = twist[j][i] = twist_local;
if (twist_local != TWIST_NONE && twist_local != TWIST_MARSHALL)
for (int k = 0; k < 3; k++)
twist_coeffs[i][j][k] = twist_coeffs_local[k];
twist_coeffs[i][j][k] = twist_coeffs[j][i][k] = twist_coeffs_local[k];
setflag[i][j] = 1;
count++;
@ -1033,31 +1033,31 @@ double PairGranularMulti::init_one(int i, int j)
}
if (normal[i][j] != HOOKE && normal[i][j] != HERTZ){
normal_coeffs[i][j][0] = mix_stiffnessE(normal_coeffs[i][i][0], normal_coeffs[j][j][0],
normal_coeffs[i][j][0] = normal_coeffs[j][i][0] = mix_stiffnessE(normal_coeffs[i][i][0], normal_coeffs[j][j][0],
normal_coeffs[i][i][2], normal_coeffs[j][j][2]);
normal_coeffs[i][j][2] = mix_stiffnessG(normal_coeffs[i][i][0], normal_coeffs[j][j][0],
normal_coeffs[i][j][2] = normal_coeffs[j][i][2] = mix_stiffnessG(normal_coeffs[i][i][0], normal_coeffs[j][j][0],
normal_coeffs[i][i][2], normal_coeffs[j][j][2]);
}
else{
normal_coeffs[i][j][0] = mix_geom(normal_coeffs[i][i][0], normal_coeffs[j][j][0]);
normal_coeffs[i][j][0] = normal_coeffs[j][i][0] = mix_geom(normal_coeffs[i][i][0], normal_coeffs[j][j][0]);
}
normal_coeffs[i][j][1] = mix_geom(normal_coeffs[i][i][1], normal_coeffs[j][j][1]);
normal_coeffs[i][j][1] = normal_coeffs[j][i][1] = mix_geom(normal_coeffs[i][i][1], normal_coeffs[j][j][1]);
if ((normal[i][i] == JKR) || (normal[i][i] == DMT))
normal_coeffs[i][j][3] = mix_geom(normal_coeffs[i][i][3], normal_coeffs[j][j][3]);
normal_coeffs[i][j][3] = normal_coeffs[j][i][3] = mix_geom(normal_coeffs[i][i][3], normal_coeffs[j][j][3]);
for (int k = 0; k < 3; k++)
tangential_coeffs[i][j][k] = mix_geom(tangential_coeffs[i][i][k], tangential_coeffs[j][j][k]);
tangential_coeffs[i][j][k] = normal_coeffs[j][i][k] = mix_geom(tangential_coeffs[i][i][k], tangential_coeffs[j][j][k]);
if (roll[i][i] != ROLL_NONE){
for (int k = 0; k < 3; k++)
roll_coeffs[i][j][k] = mix_geom(roll_coeffs[i][i][k], roll_coeffs[j][j][k]);
roll_coeffs[i][j][k] = roll_coeffs[j][i][k] = mix_geom(roll_coeffs[i][i][k], roll_coeffs[j][j][k]);
}
if (twist[i][i] != TWIST_NONE && twist[i][i] != TWIST_MARSHALL){
for (int k = 0; k < 3; k++)
twist_coeffs[i][j][k] = mix_geom(twist_coeffs[i][i][k], twist_coeffs[j][j][k]);
twist_coeffs[i][j][k] = twist_coeffs[j][i][k] = mix_geom(twist_coeffs[i][i][k], twist_coeffs[j][j][k]);
}
}