Describe the bug
Because both PLUMED and ASE have their own units including time, energy, length, etc, it is needed to have correct unit conversion between them two. However, previous way specifying the unit in PLUMED by
UNITS LENGTH=A TIME=fs ENERGY=eV
is not appropriate for ASE side.
Expected behavior
No response
To Reproduce
No response
Environment
No response
Additional Context
No response
Task list for Issue attackers (only for developers)
Describe the bug
Because both PLUMED and ASE have their own units including time, energy, length, etc, it is needed to have correct unit conversion between them two. However, previous way specifying the unit in PLUMED by
is not appropriate for ASE side.
Expected behavior
No response
To Reproduce
No response
Environment
No response
Additional Context
No response
Task list for Issue attackers (only for developers)