ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

correct check for box changing fixes

Browse Source
This commit is contained in:
Axel Kohlmeyer
2021-04-01 08:48:39 -04:00
parent f48af95d49
commit d72b390c41
2 changed files with 4 additions and 4 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
src/RIGID/fix_rigid.cpp
View File

@ -725,7 +725,7 @@ void FixRigid::init()
for (i = 0; i < modify->nfix; i++) for (i = 0; i < modify->nfix; i++)
if (modify->fix[i]->box_change) break; if (modify->fix[i]->box_change) break;
if (i < modify->nfix) { if (i < modify->nfix) {
for (int j = i; j < modify->nfix; j++) for (int j = i+1; j < modify->nfix; j++)
if (utils::strmatch(modify->fix[j]->style,"^rigid")) if (utils::strmatch(modify->fix[j]->style,"^rigid"))
error->all(FLERR,"Rigid fixes must come before any box changing fix"); error->all(FLERR,"Rigid fixes must come before any box changing fix");
} }
@ -736,7 +736,7 @@ void FixRigid::init()
int ifix = modify->find_fix(id_gravity); int ifix = modify->find_fix(id_gravity);
if (ifix < 0) error->all(FLERR,"Fix rigid cannot find fix gravity ID"); if (ifix < 0) error->all(FLERR,"Fix rigid cannot find fix gravity ID");
if (!utils::strmatch(modify->fix[ifix]->style,"^gravity")) if (!utils::strmatch(modify->fix[ifix]->style,"^gravity"))
error->all(FLERR,"Fix rigid gravity fix is invalid"); error->all(FLERR,"Fix rigid gravity fix ID is not a gravity fix style");
int tmp; int tmp;
gvec = (double *) modify->fix[ifix]->extract("gvec",tmp); gvec = (double *) modify->fix[ifix]->extract("gvec",tmp);
} }

4
src/RIGID/fix_rigid_small.cpp
View File

@ -576,7 +576,7 @@ void FixRigidSmall::init()
for (i = 0; i < modify->nfix; i++) for (i = 0; i < modify->nfix; i++)
if (modify->fix[i]->box_change) break; if (modify->fix[i]->box_change) break;
if (i < modify->nfix) { if (i < modify->nfix) {
for (int j = i; j < modify->nfix; j++) for (int j = i+1; j < modify->nfix; j++)
if (utils::strmatch(modify->fix[j]->style,"^rigid")) if (utils::strmatch(modify->fix[j]->style,"^rigid"))
error->all(FLERR,"Rigid fixes must come before any box changing fix"); error->all(FLERR,"Rigid fixes must come before any box changing fix");
} }
@ -587,7 +587,7 @@ void FixRigidSmall::init()
int ifix = modify->find_fix(id_gravity); int ifix = modify->find_fix(id_gravity);
if (ifix < 0) error->all(FLERR,"Fix rigid/small cannot find fix gravity ID"); if (ifix < 0) error->all(FLERR,"Fix rigid/small cannot find fix gravity ID");
if (!utils::strmatch(modify->fix[ifix]->style,"^gravity")) if (!utils::strmatch(modify->fix[ifix]->style,"^gravity"))
error->all(FLERR,"Fix rigid/small gravity fix is invalid"); error->all(FLERR,"Fix rigid gravity fix ID is not a gravity fix style");
int tmp; int tmp;
gvec = (double *) modify->fix[ifix]->extract("gvec",tmp); gvec = (double *) modify->fix[ifix]->extract("gvec",tmp);
} }