update to current master

2020-04-30 11:57:17 -06:00
parent 986e5b746e 5c2f0ecc65
commit ecd3652f61
6448 changed files with 2492395 additions and 318578 deletions
--- a/src/read_data.cpp
+++ b/src/read_data.cpp
@ -440,6 +440,12 @@ void ReadData::command(int narg, char **arg)

      atom->allocate_type_arrays();
      atom->deallocate_topology();
+
+      // allocate atom arrays to N, rounded up by AtomVec->DELTA
+
+      bigint nbig = n;
+      nbig = atom->avec->roundup(nbig);
+      n = static_cast<int> (nbig);
      atom->avec->grow(n);

      domain->boxlo[0] = boxlo[0]; domain->boxhi[0] = boxhi[0];