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reindent

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This commit is contained in:
Axel Kohlmeyer
2023-01-25 15:29:13 -05:00
parent 16354d0262
commit 91ef7c22fa
1 changed files with 32 additions and 32 deletions
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64
src/MEAM/meam_force.cpp
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@ -169,25 +169,25 @@ MEAM::meam_force(int i, int eflag_global, int eflag_atom, int vflag_global, int
drhoa3mj = -this->beta3m_meam[eltj] * invrej * rhoa3mj;
}
} else {
rhoa0j = rhoa0i;
drhoa0j = drhoa0i;
rhoa1j = rhoa1i;
drhoa1j = drhoa1i;
rhoa2j = rhoa2i;
drhoa2j = drhoa2i;
rhoa3j = rhoa3i;
drhoa3j = drhoa3i;
} else {
rhoa0j = rhoa0i;
drhoa0j = drhoa0i;
rhoa1j = rhoa1i;
drhoa1j = drhoa1i;
rhoa2j = rhoa2i;
drhoa2j = drhoa2i;
rhoa3j = rhoa3i;
drhoa3j = drhoa3i;
if (this->msmeamflag) {
rhoa1mj = rhoa1mi;
drhoa1mj = drhoa1mi;
rhoa2mj = rhoa2mi;
drhoa2mj = drhoa2mi;
rhoa3mj = rhoa3mi;
drhoa3mj = drhoa3mi;
}
}
if (this->msmeamflag) {
rhoa1mj = rhoa1mi;
drhoa1mj = drhoa1mi;
rhoa2mj = rhoa2mi;
drhoa2mj = drhoa2mi;
rhoa3mj = rhoa3mi;
drhoa3mj = drhoa3mi;
}
}
const double t1mi = this->t1_meam[elti];
const double t2mi = this->t2_meam[elti];
@ -352,8 +352,8 @@ MEAM::meam_force(int i, int eflag_global, int eflag_atom, int vflag_global, int
drho2mdrm1[m] = 0.0;
drho2mdrm2[m] = 0.0;
for (n = 0; n < 3; n++) {
drho2mdrm1[m] = drho2mdrm1[m] + arho2m[i][this->vind2D[m][n]] * delij[n];
drho2mdrm2[m] = drho2mdrm2[m] - arho2m[j][this->vind2D[m][n]] * delij[n];
drho2mdrm1[m] += arho2m[i][this->vind2D[m][n]] * delij[n];
drho2mdrm2[m] -= arho2m[j][this->vind2D[m][n]] * delij[n];
}
drho2mdrm1[m] = a2 * rhoa2mj * drho2mdrm1[m];
drho2mdrm2[m] = -a2 * rhoa2mi * drho2mdrm2[m];
@ -376,10 +376,10 @@ MEAM::meam_force(int i, int eflag_global, int eflag_atom, int vflag_global, int
nv2 = 0;
for (n = 0; n < 3; n++) {
for (p = n; p < 3; p++) {
arg = delij[n] * delij[p] * this->v2D[nv2];
drho3mdrm1[m] = drho3mdrm1[m] + arho3m[i][this->vind3D[m][n][p]] * arg;
drho3mdrm2[m] = drho3mdrm2[m] + arho3m[j][this->vind3D[m][n][p]] * arg;
nv2 = nv2 + 1;
arg = delij[n] * delij[p] * this->v2D[nv2];
drho3mdrm1[m] += arho3m[i][this->vind3D[m][n][p]] * arg;
drho3mdrm2[m] += arho3m[j][this->vind3D[m][n][p]] * arg;
nv2 = nv2 + 1;
}
}
drho3mdrm1[m] = (a3 * drho3mdrm1[m] - a3a * arho3mb[i][m]) * rhoa3mj;
@ -473,15 +473,15 @@ MEAM::meam_force(int i, int eflag_global, int eflag_atom, int vflag_global, int
if (this->msmeamflag){
drhodr1 = dgamma1[i] * drho0dr1 +
dgamma2[i] * (dt1dr1 * rho1[i] + t1i * (drho1dr1 - drho1mdr1) +
dt2dr1 * rho2[i] + t2i * (drho2dr1 - drho2mdr1) +
dt3dr1 * rho3[i] + t3i * (drho3dr1 - drho3mdr1)) -
dgamma3[i] * (shpi[0] * dt1dr1 + shpi[1] * dt2dr1 + shpi[2] * dt3dr1);
dgamma2[i] * (dt1dr1 * rho1[i] + t1i * (drho1dr1 - drho1mdr1) +
dt2dr1 * rho2[i] + t2i * (drho2dr1 - drho2mdr1) +
dt3dr1 * rho3[i] + t3i * (drho3dr1 - drho3mdr1)) -
dgamma3[i] * (shpi[0] * dt1dr1 + shpi[1] * dt2dr1 + shpi[2] * dt3dr1);
drhodr2 = dgamma1[j] * drho0dr2 +
dgamma2[j] * (dt1dr2 * rho1[j] + t1j * (drho1dr2 - drho1mdr2) +
dt2dr2 * rho2[j] + t2j * (drho2dr2 - drho2mdr2) +
dt3dr2 * rho3[j] + t3j * (drho3dr2 - drho3mdr2)) -
dgamma3[j] * (shpj[0] * dt1dr2 + shpj[1] * dt2dr2 + shpj[2] * dt3dr2);
dgamma2[j] * (dt1dr2 * rho1[j] + t1j * (drho1dr2 - drho1mdr2) +
dt2dr2 * rho2[j] + t2j * (drho2dr2 - drho2mdr2) +
dt3dr2 * rho3[j] + t3j * (drho3dr2 - drho3mdr2)) -
dgamma3[j] * (shpj[0] * dt1dr2 + shpj[1] * dt2dr2 + shpj[2] * dt3dr2);
for (m = 0; m < 3; m++) {
drhodrm1[m] = 0.0;
drhodrm2[m] = 0.0;