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mirror of https://github.com/triqs/dft_tools synced 2024-12-21 20:03:41 +01:00

Fix typo in routine name convert_dmft_input

This commit is contained in:
Priyanka Seth 2014-12-09 12:26:00 +01:00
parent b90e1e80e2
commit 3c6b3e3093
10 changed files with 10 additions and 10 deletions

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@ -21,7 +21,7 @@ use_val= U_int * (Natomic - 0.5) - J_hund * (Natomic * 0.5 - 0.5)
# Convert DMFT input:
# Can be commented after the first run
Converter = Wien2kConverter(filename=dft_filename)
Converter.convert_dmft_input()
Converter.convert_dft_input()
#check if there are previous runs:
previous_runs = 0

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@ -22,7 +22,7 @@ HDFfilename = dft_filename+'.h5'
# Convert DMFT input:
# Can be commented after the first run
Converter = Wien2kConverter(filename=dft_filename,repacking=True)
Converter.convert_dmft_input()
Converter.convert_dft_input()
Converter.convert_parproj_input()
#check if there are previous runs:

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@ -36,7 +36,7 @@ Most of these parameters are self-explaining. The first, `dft_filename`, gives t
The next step, as described in the previous section, is to convert the input files::
Converter = Wien2kConverter(filename=dft_filename, repacking=True)
Converter.convert_dmft_input()
Converter.convert_dft_input()
mpi.barrier()
The command ``mpi.barrier()`` ensures that all nodes wait until the conversion of the input is finished on the master

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@ -46,7 +46,7 @@ There are three optional parameters to the Constructor:
After initialising the interface module, we can now convert the input text files into the
hdf5 arxive by::
Converter.convert_dmft_input()
Converter.convert_dft_input()
This reads all the data, and stores it in the subgroup `dft_subgrp`, as discussed above.
In this step, the files :file:`material_of_interest.ctqmcout` and :file:`material_of_interest.symqmc`

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@ -27,7 +27,7 @@ p["n_warmup_cycles"] = 50
p["n_cycles"] = 5000
Converter = Wien2kConverter(filename=dft_filename, repacking=True)
Converter.convert_dmft_input()
Converter.convert_dft_input()
mpi.barrier()
previous_runs = 0

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@ -50,7 +50,7 @@ class HkConverter(ConverterTools):
ConverterTools.repack(self)
def convert_dmft_input(self, first_real_part_matrix = True, only_upper_triangle = False, weights_in_file = False):
def convert_dft_input(self, first_real_part_matrix = True, only_upper_triangle = False, weights_in_file = False):
"""
Reads the input files, and stores the data in the HDFfile
"""

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@ -59,7 +59,7 @@ class Wien2kConverter(ConverterTools):
ConverterTools.repack(self)
def convert_dmft_input(self):
def convert_dft_input(self):
"""
Reads the input files, and stores the data in the HDFfile
"""

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@ -20,7 +20,7 @@ class TransBasis:
return 0
Converter = Wien2kConverter(filename=hdf_datafile,repacking=False)
Converter.convert_dmft_input()
Converter.convert_dft_input()
del Converter
self.SK = SumkDFT(hdf_file=hdf_datafile+'.h5',use_dft_blocks=False)

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@ -26,4 +26,4 @@ from pytriqs.archive import *
Converter = HkConverter(hk_filename='hk_convert_hamiltonian.hk',hdf_filename='hk_convert.output.h5')
Converter.convert_dmft_input()
Converter.convert_dft_input()

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@ -26,7 +26,7 @@ from pytriqs.applications.dft.converters import Wien2kConverter
Converter = Wien2kConverter(filename='SrVO3')
Converter.hdf_file = 'wien2k_convert.output.h5'
Converter.convert_dmft_input()
Converter.convert_dft_input()
Converter.convert_parproj_input()