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BlockStructure: show warnings only when above threshold

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This commit is contained in:
Gernot J. Kraberger 2018-02-22 17:49:55 +01:00
parent ad2ee87bc7
commit c1daf2f789
1 changed files with 19 additions and 7 deletions
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20
python/block_structure.py
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@ -2,6 +2,7 @@ import copy
import numpy as np import numpy as np
from pytriqs.gf import GfImFreq, BlockGf from pytriqs.gf import GfImFreq, BlockGf
from ast import literal_eval from ast import literal_eval
import pytriqs.utility.mpi as mpi
from warnings import warn from warnings import warn
class BlockStructure(object): class BlockStructure(object):
@ -298,12 +299,21 @@ class BlockStructure(object):
the structure of that G the structure of that G
ish : int ish : int
shell index shell index
show_warnings : bool show_warnings : bool or float
whether to show warnings when elements of the Green's whether to show warnings when elements of the Green's
function get thrown away function get thrown away
if float, set the threshold for the magnitude of an element
about to be thrown away to trigger a warning
(default: 1.e-10)
**kwargs : **kwargs :
options passed to the constructor for the new Gf options passed to the constructor for the new Gf
""" """
warning_threshold = 1.e-10
if isinstance(show_warnings, float):
warning_threshold = show_warnings
show_warnings = True
G_new = self.create_gf(ish=ish,**kwargs) G_new = self.create_gf(ish=ish,**kwargs)
for block in G_struct.gf_struct_solver[ish].keys(): for block in G_struct.gf_struct_solver[ish].keys():
for i1 in G_struct.gf_struct_solver[ish][block]: for i1 in G_struct.gf_struct_solver[ish][block]:
@ -314,14 +324,16 @@ class BlockStructure(object):
i2_sol = self.sumk_to_solver[ish][i2_sumk] i2_sol = self.sumk_to_solver[ish][i2_sumk]
if i1_sol[0] is None or i2_sol[0] is None: if i1_sol[0] is None or i2_sol[0] is None:
if show_warnings: if show_warnings:
if mpi.is_master_node():
warn(('Element {},{} of block {} of G is not present '+ warn(('Element {},{} of block {} of G is not present '+
'in the new structure').format(i1,i2,block)) 'in the new structure').format(i1,i2,block))
continue continue
if i1_sol[0]!=i2_sol[0]: if i1_sol[0]!=i2_sol[0]:
if show_warnings: if show_warnings and np.max(np.abs(G[block][i1,i2].data)) > warning_threshold:
if mpi.is_master_node():
warn(('Element {},{} of block {} of G is approximated '+ warn(('Element {},{} of block {} of G is approximated '+
'to zero to match the new structure.').format( 'to zero to match the new structure. Max abs value: {}').format(
i1,i2,block)) i1,i2,block,np.max(np.abs(G[block][i1,i2].data))))
continue continue
G_new[i1_sol[0]][i1_sol[1],i2_sol[1]] = \ G_new[i1_sol[0]][i1_sol[1],i2_sol[1]] = \
G[block][i1,i2] G[block][i1,i2]