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pyiron_contrib.atomistics.mlip.cfgs module
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pyiron_contrib.atomistics.mlip.cfgs module
class
pyiron_contrib.atomistics.mlip.cfgs.
Cfg
[source]
Bases:
object
desc
=
None
energy
=
None
forces
=
None
grade
=
None
lat
=
None
pos
=
None
stresses
=
None
types
=
None
class
pyiron_contrib.atomistics.mlip.cfgs.
cfgparser
(
file
,
max_cfgs
=
None
)
[source]
Bases:
object
pyiron_contrib.atomistics.mlip.cfgs.
loadcfgs
(
filename
,
max_cfgs
=
None
)
[source]
pyiron_contrib.atomistics.mlip.cfgs.
printcfg
(
cfg
)
[source]
pyiron_contrib.atomistics.mlip.cfgs.
readcfg
(
f
)
[source]
pyiron_contrib.atomistics.mlip.cfgs.
savecfg
(
f
,
cfg
,
desc
=
None
)
[source]
pyiron_contrib.atomistics.mlip.cfgs.
savecfgs
(
filename
,
cfgs
,
desc
=
None
)
[source]
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