default Force Units

[Victor Volkov]

Dear members and developers:

I wish to ask about the default units for FORCE when asked for using

  &FORCES ON
    &EACH
      MD 1
    &END EACH
   &END FORCES

Should I expect Hartree/bohr as in wiki

https://en.wikipedia.org/wiki/Hartree_atomic_units

Below I provide the available online description.

Thank you

Best wishes,

Victor

*************

Force Possible units of measurement for forces.

The [force] entry acts like a dummy flag (assumes the unit of measurement

of force is in internal units), useful for dimensional analysis.
N

Newton

mN

mNewton

au_f force

[Matt Watkins]

Yes, Ha/Bohr.

Atomic units are default _almost_ everywhere. Big exceptions that are likely to appear are coordinates in Angstroms and grid cutoff in Rydberg.
Matt

[Victor Volkov]

Dear Matt.

Thank you.

Best regards,

Victor

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