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Merge branch 'master' into patch-1

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This commit is contained in:
Axel Kohlmeyer
2020-06-24 10:09:05 -04:00
parent f719803e9a f35d517a15
commit 63eab6e6d8
1164 changed files with 884791 additions and 2025784 deletions
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23
src/modify.cpp
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@ -28,6 +28,7 @@
#include "memory.h"
#include "error.h"
#include "utils.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;
using namespace FixConst;
@ -245,21 +246,15 @@ void Modify::init()
// error if any fix or compute is using a dynamic group when not allowed
for (i = 0; i < nfix; i++)
if (!fix[i]->dynamic_group_allow && group->dynamic[fix[i]->igroup]) {
char str[128];
snprintf(str,128,
"Fix %s does not allow use of dynamic group",fix[i]->id);
error->all(FLERR,str);
}
if (!fix[i]->dynamic_group_allow && group->dynamic[fix[i]->igroup])
error->all(FLERR,fmt::format("Fix {} does not allow use with a "
"dynamic group",fix[i]->id));
for (i = 0; i < ncompute; i++)
if (!compute[i]->dynamic_group_allow &&
group->dynamic[compute[i]->igroup]) {
char str[128];
snprintf(str,128,"Compute %s does not allow use of dynamic group",
fix[i]->id);
error->all(FLERR,str);
}
group->dynamic[compute[i]->igroup])
error->all(FLERR,fmt::format("Compute {} does not allow use with a "
"dynamic group",compute[i]->id));
// warn if any particle is time integrated more than once
@ -904,7 +899,7 @@ void Modify::add_fix(int narg, char **arg, int trysuffix)
}
if (fix[ifix] == NULL)
error->all(FLERR,utils::check_packages_for_style("fix",arg[2],lmp).c_str());
error->all(FLERR,utils::check_packages_for_style("fix",arg[2],lmp));
// check if Fix is in restart_global list
// if yes, pass state info to the Fix so it can reset itself
@ -1244,7 +1239,7 @@ void Modify::add_compute(int narg, char **arg, int trysuffix)
}
if (compute[ncompute] == NULL)
error->all(FLERR,utils::check_packages_for_style("compute",arg[2],lmp).c_str());
error->all(FLERR,utils::check_packages_for_style("compute",arg[2],lmp));
ncompute++;
}