Errors in using reax/c/kk

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Hi Ray,

Did you and the other people who worked on the Kokkos reax code fix the bugs that are in Metin’s puremd code? The most significant ones we found were:

  1. Data was being written outside of allocated memory.

  2. Uninitialized variables were being used.

  3. A memory leak that was losing a little more than 1MB when reading in the PDB file.

Jim