On Thu, Oct 12, 2006, Ross Walker wrote:
>
> Serial
> pimd_spcfw - spcfw_pimd.out Large differences in Ewald error estimate
> pimd_spcfw - spcfw_nscm.out Large differences in Ewald error estimate
> pimd_pme - pimd_qmewald2.out Large differences in Ewald error estimate &
> Trajectory diverges from test case
Don't worry about these, since serial pimd code is going away soon anyway.
...dac
Received on Sun Oct 15 2006 - 06:07:03 PDT
