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add versionadded tag for fix mdi/qmmm

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Axel Kohlmeyer
2023-03-12 17:19:50 -04:00
parent 6cb45a5e0f
commit ac848c91e9
2 changed files with 3 additions and 1 deletions
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2
doc/src/Howto_mdi.rst
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@ -126,7 +126,7 @@ as a plugin library.
------------- -------------
As of Feb 2023, these are quantum codes with MDI support provided via As of March 2023, these are quantum codes with MDI support provided via
Python wrapper scripts included in the LAMMPS distribution. These can Python wrapper scripts included in the LAMMPS distribution. These can
be used with the fix mdi/qm and fix mdi/qmmm commands to perform QM be used with the fix mdi/qm and fix mdi/qmmm commands to perform QM
calculations of an entire system (e.g. AIMD) or QM/MM simulations. See calculations of an entire system (e.g. AIMD) or QM/MM simulations. See

2
doc/src/fix_mdi_qmmm.rst
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@ -39,6 +39,8 @@ Examples
Description Description
""""""""""" """""""""""
.. versionadded:: TBD
This command enables LAMMPS to act as a client with another server code This command enables LAMMPS to act as a client with another server code
to perform a coupled QM/MM (quantum-mechanics/molecular-mechanics) to perform a coupled QM/MM (quantum-mechanics/molecular-mechanics)
simulation. LAMMPS will perform classical MD (molecular mechanics simulation. LAMMPS will perform classical MD (molecular mechanics