apply clang-format

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Axel Kohlmeyer
2022-02-16 06:14:19 -05:00
parent 32cde04000
commit 08968cbdbf
7 changed files with 498 additions and 484 deletions

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@ -30,7 +30,7 @@ Description
"""""""""""
The *ilp/tmd* style computes the registry-dependent interlayer
potential (ILP) potential for itransition metal dichalcogenide (TMD)
potential (ILP) potential for itransition metal dichalcogenide (TMD)
as described in :ref:`(Ouyang3) <Ouyang3>`.
.. math::
@ -57,11 +57,11 @@ calculating the normals.
.. note::
Since each MX2 (M = Mo, W and X = S, Se Te) layer contains two
Since each MX2 (M = Mo, W and X = S, Se Te) layer contains two
sublayers of X atoms and one sublayer of M atoms, the definition of the
normal vectors used for graphene and h-BN is no longer valid for TMDs.
In :ref:`(Ouyang3) <Ouyang3>`, a new definition is proposed, where for
each atom `i`, its six nearest neighboring atoms belonging to the same
In :ref:`(Ouyang3) <Ouyang3>`, a new definition is proposed, where for
each atom `i`, its six nearest neighboring atoms belonging to the same
sublayer are chosen to define the normal vector `{\bf n}_i`.
The parameter file (e.g. TMD.ILP), is intended for use with *metal*
@ -75,7 +75,7 @@ list for calculating the normals for each atom pair.
The parameters presented in the parameter file (e.g. BNCH.ILP),
are fitted with taper function by setting the cutoff equal to 16.0
Angstrom. Using different cutoff or taper function should be careful.
These parameters provide a good description in both short- and long-range
These parameters provide a good description in both short- and long-range
interaction regimes. This feature is essential for simulations in high pressure
regime (i.e., the interlayer distance is smaller than the equilibrium
distance). The benchmark tests and comparison of these parameters can