fixed whitespace in docs
This commit is contained in:
@ -46,7 +46,7 @@ form (*model*) and the geometric quantities that characterize the atomic
|
||||
positions (*descriptor*). By defining *model* and *descriptor* separately,
|
||||
it is possible to use many different models with a given descriptor,
|
||||
or many different descriptors with a given model. Currently, the compute
|
||||
supports *linear* and *quadratic* SNAP descriptor computes used in
|
||||
supports *linear* and *quadratic* SNAP descriptor computes used in
|
||||
:doc:`pair_style snap <pair_snap>`, *linear* SO3 descriptor computes, and
|
||||
*linear* ACE descriptor computes used in :doc:`pair_style pace <pair_pace>`,
|
||||
and it is straightforward to add new descriptor styles.
|
||||
|
||||
@ -175,7 +175,7 @@ Currently three descriptor styles are available: *sna*, *so3*, and *ace*.
|
||||
:doc:`pair_style pace <pair_pace>`. Note that unlike the potential file, the
|
||||
Clebsch-Gordan coefficients in the descriptor file supplied should *NOT* be
|
||||
multiplied by linear or square root embedding terms.
|
||||
|
||||
|
||||
|
||||
The SNAP descriptor file closely follows the format of the
|
||||
:doc:`pair_style snap <pair_snap>` parameter file. The file can contain
|
||||
@ -214,7 +214,7 @@ The *ace* descriptor files can also be extracted from ACE model fits in
|
||||
`python-ace. <https://github.com/ICAMS/python-ace>`_ It is important to
|
||||
note that order of the types listed in :doc:`pair_coeff <pair_coeff>` must
|
||||
match the order of the elements/types listed in the ACE descriptor file
|
||||
for all *mliap* styles when using *ace* descriptors.
|
||||
for all *mliap* styles when using *ace* descriptors.
|
||||
|
||||
See the :doc:`pair_coeff <pair_coeff>` page for alternate ways
|
||||
to specify the path for these *model* and *descriptor* files.
|
||||
|
||||
Reference in New Issue
Block a user