fix minor issues

src/atom.cpp

@@ -2169,6 +2169,7 @@ void Atom::add_molecule(const std::string &id, const json &moldata)
   molecules[nmolecule] = new Molecule(lmp);
   molecules[nmolecule]->from_json(id, moldata);
   molecules[nmolecule]->nset = 1;
+  molecules[nmolecule]->last = 1;
   nmolecule++;
 }
 

src/molecule.cpp

@@ -180,6 +180,7 @@ void Molecule::command(int narg, char **arg, int &index)
 
   if (json_format) {
     // 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
@@ -316,6 +317,22 @@ void Molecule::from_json(const std::string &molid, const json &moldata)
     error->all(FLERR, Error::NOLASTLINE,
                "Molecule data z center-of-mass must be 0.0 for 2d systems");
 
+  if ((typeflag) && moldata["types"].contains("data")) {
+    if (moldata["types"]["data"].size() != natoms)
+      error->all(FLERR, Error::NOLASTLINE, "Found {} instead of {} data entries for 'types'",
+                 moldata["types"]["data"].size(), natoms);
+  }
+  if ((radiusflag) && moldata["diameters"].contains("data")) {
+    if (moldata["diameters"]["data"].size() != natoms)
+      error->all(FLERR, Error::NOLASTLINE, "Found {} instead of {} data entries for 'diameters'",
+                 moldata["diameters"]["data"].size(), natoms);
+  }
+  if ((rmassflag) && moldata["masses"].contains("data")) {
+    if (moldata["masses"]["data"].size() != natoms)
+      error->all(FLERR, Error::NOLASTLINE, "Found {} instead of {} data entries for 'masses'",
+                 moldata["masses"]["data"].size(), natoms);
+  }
+
   // allocate required storage
 
   Molecule::allocate();

tools/json/README.md

@@ -26,7 +26,7 @@ for how to use a tool called `check-jsonschema` which is available via
 # Installation into a virtual environment.
 # Once installed only the activation should be needed
 python3 -m venv validate-json
-source validata-json/bin/activate
+source validate-json/bin/activate
 pip install --upgrade pip
 pip install check-jsonschema
 
@@ -42,4 +42,4 @@ Otherwise details about the non-conforming fields are given.
 
 -------
 
-updated by Axel Kohlmeyer, 2025-05-22
+updated by Axel Kohlmeyer, 2025-05-23