ICODE-ADC/lammps
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use Output::add_dump() and the dump_creator map and templates etc.

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This commit is contained in:
Axel Kohlmeyer
2022-05-12 14:47:16 -04:00
parent aff72c56a5
commit 0577bb6269
2 changed files with 18 additions and 33 deletions
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23
src/write_dump.cpp
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@ -17,12 +17,13 @@
------------------------------------------------------------------------- */
#include "write_dump.h"
#include "style_dump.h" // IWYU pragma: keep
#include "comm.h"
#include "dump.h"
#include "dump_cfg.h"
#include "dump_image.h"
#include "error.h"
#include "output.h"
#include "update.h"
#include <cstring>
@ -45,8 +46,6 @@ void WriteDump::command(int narg, char **arg)
// create the Dump instance
// create dump command line with extra required args
Dump *dump = nullptr;
auto dumpargs = new char*[modindex+2];
dumpargs[0] = (char *) "WRITE_DUMP"; // dump id
dumpargs[1] = arg[0]; // group
@ -54,21 +53,9 @@ void WriteDump::command(int narg, char **arg)
std::string ntimestep = std::to_string(MAX(update->ntimestep,1));
dumpargs[3] = (char *) ntimestep.c_str(); // dump frequency
for (int i = 2; i < modindex; ++i)
dumpargs[i+2] = arg[i];
if (false) { // NOLINT
return; // dummy branch to enable else-if macro expansion
#define DUMP_CLASS
#define DumpStyle(key,Class) \
} else if (strcmp(arg[1],#key) == 0) { \
dump = new Class(lmp,modindex+2,dumpargs);
#include "style_dump.h" // IWYU pragma: keep
#undef DUMP_CLASS
} else error->all(FLERR,utils::check_packages_for_style("dump",arg[1],lmp));
for (int i = 2; i < modindex; ++i) dumpargs[i+2] = arg[i];
Dump *dump = output->add_dump(modindex+2, dumpargs);
if (modindex < narg) dump->modify_params(narg-modindex-1,&arg[modindex+1]);
// write out one frame and then delete the dump again
@ -88,6 +75,6 @@ void WriteDump::command(int narg, char **arg)
// delete the Dump instance and local storage
delete dump;
output->delete_dump(dumpargs[0]);
delete[] dumpargs;
}