EXTERNAL-FIELD keyword availability in tinker-hp?

[RimpiDey]

Is there a keyword that I can use in my keyfile to generate a trajectory in presence of an external electric field ?

[pren]

There is no such keyword implemented in Tinker or Tinker-HP. You could use dummy charges to generate field. If you need a uniform external field that needs to be added.

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From: RimpiDey @.***> Sent: Tuesday, May 9, 2023 11:13 PM To: TinkerTools/tinker-hp Cc: Subscribed Subject: [TinkerTools/tinker-hp] EXTERNAL-FIELD keyword availability in tinker-hp? (Issue #13)

Is there a keyword that I can use in my keyfile to generate a trajectory in presence of an external electric field ?

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[jayponder]

There is an EXTERNAL-FIELD keyword in both Tinker (a.k.a. Tinker8, the CPU code) and in Tinker9 (GPU code). This is a relatively recent addition in the past few months. It takes three real numbers as arguments that give the value of the external electric field in MV/cm along the X-, Y- and Z-axes respectively. See the Tinker documentation, "tinker-guide.pdf".

I do not know if this keyword has been implemented yet in Tinker-HP.

[louislagardere]

I confirm what Pengyu said regarding Tinker-HP: this keyword is not implemented.