From 4a5639512be7baa555660013b97c3d3dae6e9d07 Mon Sep 17 00:00:00 2001
From: temok-mx <temok.mx@gmail.com>
Date: Thu, 9 Apr 2020 16:33:44 +0200
Subject: [PATCH] Removed leftover debug_print()
---
.../excitingparser/parser_exciting.py | 16 ----------------
1 file changed, 16 deletions(-)
diff --git a/parser/parser-exciting/excitingparser/parser_exciting.py b/parser/parser-exciting/excitingparser/parser_exciting.py
index 1450ffe..a67c62c 100644
--- a/parser/parser-exciting/excitingparser/parser_exciting.py
+++ b/parser/parser-exciting/excitingparser/parser_exciting.py
@@ -34,8 +34,6 @@ import logging
logger = logging.getLogger("nomad.ExcitingParser")
-debug_print = [False, True][0] # <<<<
-
def is_number(s):
try:
float(s)
@@ -474,9 +472,6 @@ class ExcitingParserContext(object):
# self.xstype = "BSE"
# dummyBse = files[11:13]
# self.tensorComp = files[-6:-4]
- if debug_print:
- print("tensorComp:", tensorComp)
- print("qpointNumber:", qpointNumber)
# WARNING: the following entries don't exist in Exciting Metainfo!!
#backend.addValue("x_exciting_xs_tddft_number_of_optical_components",len(tensorComp))
#backend.addValue("x_exciting_xs_tddft_optical_component",tensorComp)
@@ -666,9 +661,6 @@ class ExcitingParserContext(object):
# qPlusGCartesian[i].append([float(s[4]),float(s[5]),float(s[6])])
- if debug_print:
- print("dielTensSym", dielTensSym, "\n")
- print("dielTensNoSym", dielTensNoSym)
#WARNING: the following entries don't exist in the Exciting Metainfo!!
#backend.addValue("x_exciting_xs_tddft_dielectric_tensor_sym",dielTensSym)
#backend.addValue("x_exciting_xs_tddft_dielectric_tensor_no_sym",dielTensNoSym)
@@ -873,8 +865,6 @@ class ExcitingParserContext(object):
if os.path.exists(eigvalFile):
eigvalGIndex = backend.openSection("section_eigenvalues")
with open(eigvalFile) as g:
- if debug_print:
- print("## Processing eigvalFile: ", eigvalFile)
eigvalKpoint=[]
eigvalVal=[]
eigvalOcc=[]
@@ -885,8 +875,6 @@ class ExcitingParserContext(object):
s = g.readline()
if not s: break
s = s.strip()
- if debug_print:
- print("## len(s):s = {:4d}:'{}'" .format(len(s), s))
if len(s) < 20:
if "nstsv" in s.split():
nstsv = int(s.split()[0])
@@ -898,8 +886,6 @@ class ExcitingParserContext(object):
try:
int(s[0]) # assert this line is not a header string
except ValueError:
- if debug_print:
- print("########## len(s):s ", len(s), ':', s)
continue
else:
eigvalVal.append([])
@@ -932,8 +918,6 @@ class ExcitingParserContext(object):
mantissa, exponent = pieces
enew = mantissa * 10**(-1 * exponent)
logger.warning("In-house conversion '{}' -> {}" .format(e, enew))
- if debug_print:
- print("## s = \"{}\" =>\t {} \t {}\t\t {}" .format(s, n, enew, occ))
#---------
eigvalVal[-1].append(fromH(enew))
eigvalOcc[-1].append(float(occ))
--
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