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mirror of https://github.com/triqs/dft_tools synced 2024-12-23 04:43:42 +01:00

changed default in calculate_diagonalisation_matrix to calculate in

solver structure
This commit is contained in:
aichhorn 2020-03-27 23:45:35 +01:00
parent 3d649f0db5
commit d54f157e17

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@ -1330,7 +1330,7 @@ class SumkDFT(object):
# a block was found, break out of the loop # a block was found, break out of the loop
break break
def calculate_diagonalization_matrix(self, prop_to_be_diagonal='eal', calc_in_solver_blocks=False, write_to_blockstructure = True, shells=None): def calculate_diagonalization_matrix(self, prop_to_be_diagonal='eal', calc_in_solver_blocks=True, write_to_blockstructure = True, shells=None):
""" """
Calculates the diagonalisation matrix, and (optionally) stores it in the BlockStructure. Calculates the diagonalisation matrix, and (optionally) stores it in the BlockStructure.