This commit is contained in:
Axel Kohlmeyer
2022-01-22 16:30:03 -05:00
parent fa88dacd7b
commit 78ed631877
2 changed files with 5 additions and 3 deletions

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@ -32,7 +32,7 @@ tensor :math:`\varepsilon` elements. These values are related to:
C^{B}_{i,j}=\frac{1}{V}\frac{\partial{}^2U}{\partial{}\varepsilon_{i}\partial\varepsilon_{j}}
also called the Born term of elastic contants in the stress-stress fluctuation
also called the Born term of elastic constants in the stress-stress fluctuation
formalism. This quantity can be used to compute the elastic constant tensor.
Using the symmetric Voigt notation, the elastic constant tensor can be written
as a 6x6 symmetric matrix:
@ -114,11 +114,11 @@ LAMMPS was built with that package. See the :doc:`Build package <Build_package>
The Born term can be decomposed as a product of two terms. The first one
is a general term which depends on the configuration. The second one is
specific to every interaction composing your forcefield (non-bonded,
specific to every interaction composing your force field (non-bonded,
bonds, angle...). Currently not all interaction implement the *born_matrix*
method giving first and second order derivatives and a warning will
be raised if you try to use this compute with such interactions. The returned
values of this forcefield component is currently zero.
values of this force field component is currently zero.
Default
"""""""

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@ -3550,6 +3550,7 @@ Voronoi
VORONOI
Vorselaars
Voth
Voyiatzis
vpz
vratio
Vries
@ -3614,6 +3615,7 @@ Wittmaack
wn
Wolde
workflow
Workum
Worley
Wriggers
Wuppertal