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continue refactoring for bio force field and water moldel discussions

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Axel Kohlmeyer
2025-05-17 23:30:18 -04:00
parent e393b9803b
commit 2968a62937
5 changed files with 78 additions and 30 deletions
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10
doc/src/Howto_tip4p.rst
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@ -212,11 +212,11 @@ file changed):
When constructing an OPC model, we cannot use the ``tip3p.mol`` file due
to the different geometry. Below is a molecule file providing the 3
sites for an implicit OPC geometry with TIP4P styles. Note, that the
"Shake" and "Special" sections are missing here. Those will be
auto-generated since the molecule file is loaded *after* the simulation
box has been created. They are required only when the molecule file
is loaded *before*.
sites of an implicit OPC geometry for use with TIP4P styles. Note, that
the "Shake" and "Special" sections are missing here. Those will be
auto-generated by LAMMPS when the molecule file is loaded *after* the
simulation box has been created. These sections are required only when
the molecule file is loaded *before*.
.. _opc3p_molecule:
.. code-block::