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make more use of convenience functions for adding fixes and computes

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This commit is contained in:
Axel Kohlmeyer
2020-06-28 18:40:48 -04:00
parent df29364be8
commit 3cd1341e64
8 changed files with 40 additions and 98 deletions
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35
src/group.cpp
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@ -124,11 +124,8 @@ void Group::assign(int narg, char **arg)
int bits = inversemask[igroup];
for (i = 0; i < nlocal; i++) mask[i] &= bits;
if (dynamic[igroup]) {
std::string fixID = "GROUP_";
fixID += names[igroup];
modify->delete_fix(fixID.c_str());
}
if (dynamic[igroup])
modify->delete_fix(std::string("GROUP_") + names[igroup]);
delete [] names[igroup];
names[igroup] = NULL;
@ -491,24 +488,15 @@ void Group::assign(int narg, char **arg)
// if group is already dynamic, delete existing FixGroup
if (dynamic[igroup]) {
std::string fixID = "GROUP_";
fixID += names[igroup];
modify->delete_fix(fixID.c_str());
}
if (dynamic[igroup])
modify->delete_fix(std::string("GROUP_") + names[igroup]);
dynamic[igroup] = 1;
std::string fixID = "GROUP_";
fixID += names[igroup];
char **newarg = new char*[narg];
newarg[0] = (char *)fixID.c_str();
newarg[1] = arg[2];
newarg[2] = (char *) "GROUP";
for (int i = 3; i < narg; i++) newarg[i] = arg[i];
modify->add_fix(narg,newarg);
delete [] newarg;
std::string fixcmd = "GROUP_";
fixcmd += fmt::format("{} {} GROUP",names[igroup],arg[2]);
for (int i = 3; i < narg; i++) fixcmd += std::string(" ") + arg[i];
modify->add_fix(fixcmd);
// style = static
// remove dynamic FixGroup if necessary
@ -517,11 +505,8 @@ void Group::assign(int narg, char **arg)
if (narg != 2) error->all(FLERR,"Illegal group command");
if (dynamic[igroup]) {
std::string fixID = "GROUP_";
fixID += names[igroup];
modify->delete_fix(fixID.c_str());
}
if (dynamic[igroup])
modify->delete_fix(std::string("GROUP_") + names[igroup]);
dynamic[igroup] = 0;