Added cmd("isExtraCVNeeded") #909
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This is adding a new cmd "isExtraCVNeeded", similar to "isEnergyNeeded". This is finally closing #83
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Dear Prof. @GiovanniBussi Can you give an example of using this feature with an existing parameter computed in LAMMPS? |
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This feature is implemented in Plumed, but I don't think it is used by the current LAMMPS PLUMED interface. To give you an example, this feature is used in the GROMACS PLUMED interface to pass lambda (alchemical variable) to a plumed so as to use it as a collective variable |
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Dear Prof. @GiovanniBussi Thank you so much for the information. |
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Description
This is to complete the implementation of extra CVs (computed in the MD code), see #83 .
What I add here is an extra plumed cmd to allow the MD code to know if an extra CV is needed at the step or not.
This can be used to enable:
possibly useful for expensive CVs.
Target release
I would like my code to appear in release 2.9