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

rename fix STORE/PERATOM to STORE/ATOM

Browse Source
This commit is contained in:
Axel Kohlmeyer
2023-03-13 22:28:32 -04:00
parent 1031110d93
commit 17f39d9d2c
40 changed files with 199 additions and 145 deletions
Download Patch File Download Diff File Expand all files Collapse all files

10
src/dump_custom.cpp
View File

@ -20,7 +20,7 @@
#include "domain.h"
#include "error.h"
#include "fix.h"
#include "fix_store_peratom.h"
#include "fix_store_atom.h"
#include "group.h"
#include "input.h"
#include "memory.h"
@ -2005,16 +2005,16 @@ int DumpCustom::modify_param(int narg, char **arg)
thresh_value[nthresh] = utils::numeric(FLERR,arg[3],false,lmp);
thresh_last[nthresh] = -1;
} else {
thresh_fix = (FixStorePeratom **)
memory->srealloc(thresh_fix,(nthreshlast+1)*sizeof(FixStorePeratom *),"dump:thresh_fix");
thresh_fix = (FixStoreAtom **)
memory->srealloc(thresh_fix,(nthreshlast+1)*sizeof(FixStoreAtom *),"dump:thresh_fix");
thresh_fixID = (char **)
memory->srealloc(thresh_fixID,(nthreshlast+1)*sizeof(char *),"dump:thresh_fixID");
memory->grow(thresh_first,(nthreshlast+1),"dump:thresh_first");
std::string threshid = fmt::format("{}{}_DUMP_STORE",id,nthreshlast);
thresh_fixID[nthreshlast] = utils::strdup(threshid);
threshid += fmt::format(" {} STORE/PERATOM 1 0 0 1", group->names[igroup]);
thresh_fix[nthreshlast] = dynamic_cast<FixStorePeratom *>(modify->add_fix(threshid));
threshid += fmt::format(" {} STORE/ATOM 1 0 0 1", group->names[igroup]);
thresh_fix[nthreshlast] = dynamic_cast<FixStoreAtom *>(modify->add_fix(threshid));
thresh_last[nthreshlast] = nthreshlast;
thresh_first[nthreshlast] = 1;