tsvncSileSiesta¶
-
class
sisl.io.siesta.
tsvncSileSiesta
(filename, mode='r', lvl=0, access=1, *args, **kwargs)[source]¶ TranSiesta potential input Grid file object
This potential input file is mainly intended for the Hartree solution which complements N-electrode calculations in TranSiesta.
See also
Grid.topyamg
- intrinsic grid conversion to the Poisson equation
Attributes
base_file
File of the current Sile file
File of the current Sile Methods
__init__
(filename[, mode, lvl, access])Initialize self. close
()dir_file
([filename])File of the current Sile exist
()Query whether the file exists iter
([group, dimension, variable, levels, root])Iterator on all groups, variables and dimensions. read
(*args, **kwargs)Generic read method which should be overloaded in child-classes read_grid
(*args, **kwargs)Reads the TranSiesta potential input grid write
(*args, **kwargs)Generic write method which should be overloaded in child-classes write_grid
(grid)Write the Poisson solution to the TSV.nc file -
base_file
¶ File of the current Sile
-
close
()¶
-
dir_file
(filename=None)¶ File of the current Sile
-
exist
()¶ Query whether the file exists
-
file
¶ File of the current Sile
-
iter
(group=True, dimension=True, variable=True, levels=-1, root=None)¶ Iterator on all groups, variables and dimensions.
This iterator iterates through all groups, variables and dimensions in the
Dataset
The generator sequence will _always_ be:
- Group
- Dimensions in group
- Variables in group
As the dimensions are generated before the variables it is possible to copy groups, dimensions, and then variables such that one always ensures correct dependencies in the generation of a new
SileCDF
.Parameters: - group :
bool
(True) whether the iterator yields Group instances
- dimension :
bool
(True) whether the iterator yields Dimension instances
- variable :
bool
(True) whether the iterator yields Variable instances
- levels :
int
(-1) number of levels to traverse, with respect to
root
variable, i.e. number of sub-groups this iterator will return.- root :
str
(None) the base root to start iterating from.
Examples
Script for looping and checking each instance.
>>> for gv in self.iter(): ... if self.isGroup(gv): ... # is group ... elif self.isDimension(gv): ... # is dimension ... elif self.isVariable(gv): ... # is variable
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read
(*args, **kwargs)¶ Generic read method which should be overloaded in child-classes
Parameters: - kwargs :
keyword arguments will try and search for the attribute
read_<>
and call it with the remaining**kwargs
as arguments.
-
write
(*args, **kwargs)¶ Generic write method which should be overloaded in child-classes
Parameters: - **kwargs :
keyword arguments will try and search for the attribute write_ and call it with the remaining
**kwargs
as arguments.