Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

EXTERNAL-FIELD keyword availability in tinker-hp? #13

Open
RimpiDey opened this issue May 10, 2023 · 3 comments
Open

EXTERNAL-FIELD keyword availability in tinker-hp? #13

RimpiDey opened this issue May 10, 2023 · 3 comments

Comments

@RimpiDey
Copy link

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

@pren
Copy link
Member

pren commented May 10, 2023 via email

@jayponder
Copy link
Member

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
Copy link
Member

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

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

4 participants