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Updated docstrings in ebs.py
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lllangWV committed Jan 15, 2024
1 parent 03cd602 commit 709fc52
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Showing 4 changed files with 13 additions and 13 deletions.
17 changes: 9 additions & 8 deletions pyprocar/core/ebs.py
Original file line number Diff line number Diff line change
Expand Up @@ -1106,17 +1106,18 @@ def __str__(self):
ret += 'Total number of orbitals = {}\n'.format(self.norbitals)
return ret


def fix_collinear_spin(self):
"""It changes from two spin channels to just one. The spin down will
have negatives values in the projection. This is ussually done to plot the DOS
Return:
-------
"""
Converts data from two spin channels to a single channel, adjusting the spin down values to negatives. This is typically used for plotting the Density of States (DOS).
True: the function changed the data
False: the function didn't change the data
Parameters
----------
No parameters are required for this function.
Returns
-------
bool
Returns True if the function changed the data, False otherwise.
"""

print('old bands.shape', self.bands.shape)
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4 changes: 2 additions & 2 deletions pyprocar/io/__init__.py
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Expand Up @@ -5,8 +5,8 @@
from . import siesta
from . import elk
from . import dftbplus
from . import bsxf
from . import frmsf
# from . import bsxf
# from . import frmsf
from .procarparser import ProcarParser

from .parser import Parser
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1 change: 0 additions & 1 deletion pyprocar/scripts/__init__.py
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Expand Up @@ -17,7 +17,6 @@
from .scriptKpath import kpath
from .scriptRepair import repair
from .scriptUnfold import unfold
from .depreciated_scriptVector import Vector
from .scriptBandGap import bandgap
from .scriptAutoBandsplot import autobandsplot

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4 changes: 2 additions & 2 deletions pyprocar/scripts/scriptCat.py
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Expand Up @@ -13,7 +13,7 @@

from ..utils import welcome
from ..utils import UtilsProcar
from ..io import AbinitParser
from ..io.abinit import Output

def cat(
inFiles:List[str]=None,
Expand Down Expand Up @@ -99,7 +99,7 @@ def _mergeparallel(inputfiles=None, outputfile=None, nspin=1, abinit_output=None

# creating an instance of the AbinitParser class
if abinit_output:
abinitparserobject = AbinitParser(abinit_output=abinit_output)
abinitparserobject = Output(abinit_output=abinit_output)
nspin = int(abinitparserobject.nspin)
else:
nspin = int(nspin)
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