[CP2K-user] [CP2K:18434] Classical molecular dynamics for isolated cluster with two positive charges

[Jürg Hutter]

Hi

you should also add a non-periodic Poisson solver.

regards
JH

________________________________________
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Junbo Lu <lujunbo15 at gmail.com>
Sent: Friday, February 10, 2023 3:37 AM
To: cp2k
Subject: [CP2K:18432] Classical molecular dynamics for isolated cluster with two positive charges

Dear all experts,
  I am trying to use classical molecular dynamics to study an isolated cluster. This cluster has two positive charges. I use a large box and turn off the periodic condition in subsys/cell section. Is there anything else that I should pay attention to?
  With my best regards,
  Junbo

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