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add API to library interface to access last thermo data

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This commit is contained in:
Axel Kohlmeyer
2023-06-07 16:21:01 -04:00
parent de561737a3
commit 491e152289
7 changed files with 116 additions and 17 deletions
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12
src/NETCDF/dump_netcdf_mpiio.cpp
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@ -221,7 +221,7 @@ void DumpNetCDFMPIIO::openfile()
if (thermo && !singlefile_opened) {
delete[] thermovar;
thermovar = new int[output->thermo->get_nfield()];
thermovar = new int[*output->thermo->get_nfield()];
}
// now the computes and fixes have been initialized, so we can query
@ -321,7 +321,7 @@ void DumpNetCDFMPIIO::openfile()
if (thermo) {
Thermo *th = output->thermo;
const auto &keywords = th->get_keywords();
const int nfield = th->get_nfield();
const int nfield = *th->get_nfield();
for (int i = 0; i < nfield; i++) {
NCERRX( ncmpi_inq_varid(ncid, keywords[i].c_str(), &thermovar[i]), keywords[i].c_str() );
@ -429,7 +429,7 @@ void DumpNetCDFMPIIO::openfile()
Thermo *th = output->thermo;
const auto &fields = th->get_fields();
const auto &keywords = th->get_keywords();
const int nfield = th->get_nfield();
const int nfield = *th->get_nfield();
for (int i = 0; i < nfield; i++) {
if (fields[i].type == multitype::DOUBLE) {
@ -603,18 +603,18 @@ void DumpNetCDFMPIIO::write()
// will output current thermo data only on timesteps where it was computed.
// warn (once) about using cached copy from old timestep.
if (thermo_warn && (update->ntimestep != th->get_timestep())) {
if (thermo_warn && (update->ntimestep != *th->get_timestep())) {
thermo_warn = false;
if (comm->me == 0) {
error->warning(FLERR, "Dump {} output on incompatible timestep with thermo output: {} vs {} \n"
" Dump netcdf/mpiio always stores thermo data from last thermo output",
id, th->get_timestep(), update->ntimestep);
id, *th->get_timestep(), update->ntimestep);
}
}
const auto &keywords = th->get_keywords();
const auto &fields = th->get_fields();
int nfield = th->get_nfield();
int nfield = *th->get_nfield();
for (int i = 0; i < nfield; i++) {
if (filewriter) {
if (fields[i].type == multitype::DOUBLE) {