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Merge branch 'master' into improve-include-consistency

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# Conflicts:
#	src/utils.cpp
This commit is contained in:
Axel Kohlmeyer
2019-07-19 17:57:58 -04:00
parent ceb2ce5814 981b9a1f7a
commit a50d57bceb
23 changed files with 346 additions and 185 deletions
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11
src/atom_vec_ellipsoid.cpp
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@ -40,7 +40,7 @@ AtomVecEllipsoid::AtomVecEllipsoid(LAMMPS *lmp) : AtomVec(lmp)
comm_x_only = comm_f_only = 0;
size_forward = 7;
size_reverse = 6;
size_border = 14;
size_border = 15;
size_velocity = 6;
size_data_atom = 7;
size_data_vel = 7;
@ -543,6 +543,7 @@ int AtomVecEllipsoid::pack_border(int n, int *list, double *buf,
buf[m++] = ubuf(tag[j]).d;
buf[m++] = ubuf(type[j]).d;
buf[m++] = ubuf(mask[j]).d;
buf[m++] = rmass[j];
if (ellipsoid[j] < 0) buf[m++] = ubuf(0).d;
else {
buf[m++] = ubuf(1).d;
@ -575,6 +576,7 @@ int AtomVecEllipsoid::pack_border(int n, int *list, double *buf,
buf[m++] = ubuf(tag[j]).d;
buf[m++] = ubuf(type[j]).d;
buf[m++] = ubuf(mask[j]).d;
buf[m++] = rmass[j];
if (ellipsoid[j] < 0) buf[m++] = ubuf(0).d;
else {
buf[m++] = ubuf(1).d;
@ -617,6 +619,7 @@ int AtomVecEllipsoid::pack_border_vel(int n, int *list, double *buf,
buf[m++] = ubuf(tag[j]).d;
buf[m++] = ubuf(type[j]).d;
buf[m++] = ubuf(mask[j]).d;
buf[m++] = rmass[j];
if (ellipsoid[j] < 0) buf[m++] = ubuf(0).d;
else {
buf[m++] = ubuf(1).d;
@ -656,6 +659,7 @@ int AtomVecEllipsoid::pack_border_vel(int n, int *list, double *buf,
buf[m++] = ubuf(tag[j]).d;
buf[m++] = ubuf(type[j]).d;
buf[m++] = ubuf(mask[j]).d;
buf[m++] = rmass[j];
if (ellipsoid[j] < 0) buf[m++] = ubuf(0).d;
else {
buf[m++] = ubuf(1).d;
@ -688,6 +692,7 @@ int AtomVecEllipsoid::pack_border_vel(int n, int *list, double *buf,
buf[m++] = ubuf(tag[j]).d;
buf[m++] = ubuf(type[j]).d;
buf[m++] = ubuf(mask[j]).d;
buf[m++] = rmass[j];
if (ellipsoid[j] < 0) buf[m++] = ubuf(0).d;
else {
buf[m++] = ubuf(1).d;
@ -734,6 +739,7 @@ int AtomVecEllipsoid::pack_border_hybrid(int n, int *list, double *buf)
m = 0;
for (i = 0; i < n; i++) {
j = list[i];
buf[m++] = rmass[j];
if (ellipsoid[j] < 0) buf[m++] = ubuf(0).d;
else {
buf[m++] = ubuf(1).d;
@ -768,6 +774,7 @@ void AtomVecEllipsoid::unpack_border(int n, int first, double *buf)
tag[i] = (tagint) ubuf(buf[m++]).i;
type[i] = (int) ubuf(buf[m++]).i;
mask[i] = (int) ubuf(buf[m++]).i;
rmass[i] = buf[m++];
ellipsoid[i] = (int) ubuf(buf[m++]).i;
if (ellipsoid[i] == 0) ellipsoid[i] = -1;
else {
@ -811,6 +818,7 @@ void AtomVecEllipsoid::unpack_border_vel(int n, int first, double *buf)
tag[i] = (tagint) ubuf(buf[m++]).i;
type[i] = (int) ubuf(buf[m++]).i;
mask[i] = (int) ubuf(buf[m++]).i;
rmass[i] = buf[m++];
ellipsoid[i] = (int) ubuf(buf[m++]).i;
if (ellipsoid[i] == 0) ellipsoid[i] = -1;
else {
@ -853,6 +861,7 @@ int AtomVecEllipsoid::unpack_border_hybrid(int n, int first, double *buf)
m = 0;
last = first + n;
for (i = first; i < last; i++) {
rmass[i] = buf[m++];
ellipsoid[i] = (int) ubuf(buf[m++]).i;
if (ellipsoid[i] == 0) ellipsoid[i] = -1;
else {