Commits (1)
......@@ -317,7 +317,9 @@ class ExcitingParserContext(object):
self.bsetype = 'RPA'
elif dummyBse == 'IP':
self.bsetype = 'IP'
name = "EXCITON_BSE" + self.bsetype + '_SCR'
else:
self.bsetype = 'UNKNOWN'
name = 'EXCITON_BSE%s_SCR' % self.bsetype
# nameEps = "EPSILON_BSE" + self.bsetype + '_SCR'
if files[len(name):len(name)+4] == 'full':
self.screentype = 'full'
......@@ -370,37 +372,40 @@ class ExcitingParserContext(object):
loss.append([[],[]])
# lossDummy.append([])
outputXSFile = os.path.join(dirPath, "EXCITON_BSE" + self.bsetype + '_SCR' + self.screentype + "_OC" + self.tensorComp[i] + ".OUT")
outputEpsFile = os.path.join(dirPath, "EPSILON_BSE" + self.bsetype + '_SCR' + self.screentype + "_OC" + self.tensorComp[i] + ".OUT")
outputSigmaFile = os.path.join(dirPath, "SIGMA_BSE" + self.bsetype + '_SCR' + self.screentype + "_OC" + self.tensorComp[i] + ".OUT")
outputLossFile = os.path.join(dirPath, "LOSS_BSE" + self.bsetype + '_SCR' + self.screentype + "_OC" + self.tensorComp[i] + ".OUT")
# - - - - -
try:
with open(outputXSFile) as g:
xsParser = exciting_parser_xs.XSParser()
xsParser.parseExciton(outputXSFile, backend, excNum, excEn, excBindEn, osclStr, transCoeff) #, dftMethodSectionGindex = self.secMethodIndex,
except FileNotFoundError:
logger.warning("File not found: {}" .format(outputXSFile))
except Exception as err:
logger.error("Exception on {}" .format(__file__), exc_info=err)
# - - - - -
try:
with open(outputEpsFile) as g:
epsParser = exciting_parser_eps.EPSParser()
epsParser.parseEpsilon(outputEpsFile, backend, epsEn, epsilon) #, dftMethodSectionGindex = self.secMethodIndex,
except FileNotFoundError:
logger.warning("File not found: {}" .format(outputEpsFile))
except Exception as err:
logger.error("Exception on Exciting subparser", exc_info=err)
# - - - - -
try:
with open(outputSigmaFile) as g:
sigmaParser = exciting_parser_eps.EPSParser()
sigmaParser.parseEpsilon(outputSigmaFile, backend, sigmaEn, sigma) #, dftMethodSectionGindex = self.secMethodIndex,
except FileNotFoundError:
logger.warning("File not found: {}" .format(outputSigmaFile))
outputXSFile = os.path.join(dirPath, "EXCITON_BSE" + self.bsetype + '_SCR' + self.screentype + "_OC" + self.tensorComp[i] + ".OUT")
outputEpsFile = os.path.join(dirPath, "EPSILON_BSE" + self.bsetype + '_SCR' + self.screentype + "_OC" + self.tensorComp[i] + ".OUT")
outputSigmaFile = os.path.join(dirPath, "SIGMA_BSE" + self.bsetype + '_SCR' + self.screentype + "_OC" + self.tensorComp[i] + ".OUT")
outputLossFile = os.path.join(dirPath, "LOSS_BSE" + self.bsetype + '_SCR' + self.screentype + "_OC" + self.tensorComp[i] + ".OUT")
# - - - - -
try:
with open(outputXSFile) as g:
xsParser = exciting_parser_xs.XSParser()
xsParser.parseExciton(outputXSFile, backend, excNum, excEn, excBindEn, osclStr, transCoeff) #, dftMethodSectionGindex = self.secMethodIndex,
except FileNotFoundError:
logger.warning("File not found: {}" .format(outputXSFile))
except Exception as err:
logger.error("Exception on {}" .format(__file__), exc_info=err)
# - - - - -
try:
with open(outputEpsFile) as g:
epsParser = exciting_parser_eps.EPSParser()
epsParser.parseEpsilon(outputEpsFile, backend, epsEn, epsilon) #, dftMethodSectionGindex = self.secMethodIndex,
except FileNotFoundError:
logger.warning("File not found: {}" .format(outputEpsFile))
except Exception as err:
logger.error("Exception on Exciting subparser", exc_info=err)
# - - - - -
try:
with open(outputSigmaFile) as g:
sigmaParser = exciting_parser_eps.EPSParser()
sigmaParser.parseEpsilon(outputSigmaFile, backend, sigmaEn, sigma) #, dftMethodSectionGindex = self.secMethodIndex,
except FileNotFoundError:
logger.warning("File not found: {}" .format(outputSigmaFile))
except Exception as err:
logger.error("Exception on {}" .format(__file__), exc_info=err)
except Exception as err:
logger.error("Exception on {}" .format(__file__), exc_info=err)
logger.error('Exception while processing further outfiles.')
# with open(outputLossFile) as g:
......