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simplify

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This commit is contained in:
Axel Kohlmeyer
2025-05-23 23:12:07 -04:00
parent 018342afc8
commit 442e50bb17
1 changed files with 2 additions and 6 deletions
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8
src/molecule.cpp
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@ -155,7 +155,6 @@ void Molecule::command(int narg, char **arg, int &index)
json moldata;
std::vector<std::uint8_t> jsondata;
int jsondata_size = 0;
json_format = 0;
if (comm->me == 0) {
fp = fopen(arg[fileiarg], "r");
@ -166,21 +165,18 @@ void Molecule::command(int narg, char **arg, int &index)
// try to parse as a JSON file
// if successful serialize to bytearray for communication
moldata = json::parse(fp);
json_format = 1;
jsondata = json::to_ubjson(moldata);
jsondata_size = jsondata.size();
fclose(fp);
} catch (std::exception &) {
json_format = 0;
// rewind so we can try reading the file as a native molecule file
rewind(fp);
}
}
MPI_Bcast(&json_format, 1, MPI_INT, 0, world);
MPI_Bcast(&jsondata_size, 1, MPI_INT, 0, world);
if (json_format) {
if (jsondata_size > 0) {
// broadcast binary JSON data to all processes and deserialize again
MPI_Bcast(&jsondata_size, 1, MPI_INT, 0, world);
if (comm->me != 0) jsondata.resize(jsondata_size);
MPI_Bcast(jsondata.data(), jsondata_size, MPI_CHAR, 0, world);
// convert back to json class on all processors