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address @Paul's comments
write NJOY input into file rather than printing on screen _ACE_TEMPLATE -> _TEMPLATE
This commit is contained in:
liangjg
parent
3f1416a17c
commit
18f7ae3a46
1 changed files with 24 additions and 23 deletions
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@ -50,7 +50,7 @@ _THERMAL_DATA = {
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75: ThermalTuple('ouo2', [8016, 8017, 8018], 1),
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}
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_ACE_TEMPLATE_RECONR = """
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_TEMPLATE_RECONR = """
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reconr / %%%%%%%%%%%%%%%%%%% Reconstruct XS for neutrons %%%%%%%%%%%%%%%%%%%%%%%
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{nendf} {npendf}
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'{library} PENDF for {zsymam}'/
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@ -61,7 +61,7 @@ reconr / %%%%%%%%%%%%%%%%%%% Reconstruct XS for neutrons %%%%%%%%%%%%%%%%%%%%%%%
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0/
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"""
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_ACE_TEMPLATE_BROADR = """
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_TEMPLATE_BROADR = """
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broadr / %%%%%%%%%%%%%%%%%%%%%%% Doppler broaden XS %%%%%%%%%%%%%%%%%%%%%%%%%%%%
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{nendf} {npendf} {nbroadr}
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{mat} {num_temp} 0 0 0. /
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@ -70,14 +70,14 @@ broadr / %%%%%%%%%%%%%%%%%%%%%%% Doppler broaden XS %%%%%%%%%%%%%%%%%%%%%%%%%%%%
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0/
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"""
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_ACE_TEMPLATE_HEATR = """
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_TEMPLATE_HEATR = """
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heatr / %%%%%%%%%%%%%%%%%%%%%%%%% Add heating kerma %%%%%%%%%%%%%%%%%%%%%%%%%%%%
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{nendf} {nheatr_in} {nheatr} /
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{mat} 3 /
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302 318 402 /
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"""
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_ACE_TEMPLATE_PURR = """
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_TEMPLATE_PURR = """
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purr / %%%%%%%%%%%%%%%%%%%%%%%% Add probability tables %%%%%%%%%%%%%%%%%%%%%%%%%
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{nendf} {npurr_in} {npurr} /
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{mat} {num_temp} 1 20 64 /
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@ -86,7 +86,8 @@ purr / %%%%%%%%%%%%%%%%%%%%%%%% Add probability tables %%%%%%%%%%%%%%%%%%%%%%%%%
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0/
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"""
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_ACE_TEMPLATE_ACER = """acer /
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_TEMPLATE_ACER = """
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acer / %%%%%%%%%%%%%%%%%%%%%%%% Write out in ACE format %%%%%%%%%%%%%%%%%%%%%%%%
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{nendf} {nacer_in} 0 {nace} {ndir}
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1 0 1 .{ext} /
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'{library}: {zsymam} at {temperature}'/
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@ -95,7 +96,7 @@ _ACE_TEMPLATE_ACER = """acer /
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/
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"""
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_ACE_THERMAL_TEMPLATE_THERMR = """
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_THERMAL_TEMPLATE_THERMR = """
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thermr / %%%%%%%%%%%%%%%% Add thermal scattering data (free gas) %%%%%%%%%%%%%%%
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0 {nthermr1_in} {nthermr1}
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0 {mat} 12 {num_temp} 1 0 {iform} 1 221 1/
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@ -108,7 +109,8 @@ thermr / %%%%%%%%%%%%%%%% Add thermal scattering data (bound) %%%%%%%%%%%%%%%%%%
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{error} {energy_max}
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"""
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_ACE_THERMAL_TEMPLATE_ACER = """acer /
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_THERMAL_TEMPLATE_ACER = """
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acer / %%%%%%%%%%%%%%%%%%%%%%%% Write out in ACE format %%%%%%%%%%%%%%%%%%%%%%%%
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{nendf} {nthermal_acer_in} 0 {nace} {ndir}
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2 0 1 .{ext}/
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'{library}: {zsymam_thermal} processed by NJOY'/
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@ -118,7 +120,7 @@ _ACE_THERMAL_TEMPLATE_ACER = """acer /
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"""
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def run(commands, tapein, tapeout, print_commands=False, stdout=False,
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def run(commands, tapein, tapeout, input_filename=None, stdout=False,
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njoy_exec='njoy'):
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"""Run NJOY with given commands
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@ -130,8 +132,8 @@ def run(commands, tapein, tapeout, print_commands=False, stdout=False,
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Dictionary mapping tape numbers to paths for any input files
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tapeout : dict
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Dictionary mapping tape numbers to paths for any output files
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print_commands : bool, optional
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Whether to display input commands when running NJOY
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input_filename : str, optional
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File name to write out NJOY input commands
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stdout : bool, optional
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Whether to display output when running NJOY
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njoy_exec : str, optional
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@ -144,10 +146,9 @@ def run(commands, tapein, tapeout, print_commands=False, stdout=False,
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"""
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if print_commands:
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# If user requested showing commands, print to screen
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print("NJOY INPUTS:")
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print(commands)
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if input_filename is not None:
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with open(input_filename, 'w') as f:
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f.write(commands)
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# Create temporary directory -- it would be preferable to use
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# TemporaryDirectory(), but it is only available in Python 3.2
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@ -269,27 +270,27 @@ def make_ace(filename, temperatures=None, ace='ace', xsdir='xsdir', pendf=None,
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tapeout[npendf] = pendf
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# reconr
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commands += _ACE_TEMPLATE_RECONR
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commands += _TEMPLATE_RECONR
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nlast = npendf
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# broadr
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if broadr:
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nbroadr = nlast + 1
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commands += _ACE_TEMPLATE_BROADR
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commands += _TEMPLATE_BROADR
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nlast = nbroadr
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# heatr
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if heatr:
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nheatr_in = nlast
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nheatr = nheatr_in + 1
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commands += _ACE_TEMPLATE_HEATR
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commands += _TEMPLATE_HEATR
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nlast = nheatr
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# purr
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if purr:
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npurr_in = nlast
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npurr = npurr_in + 1
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commands += _ACE_TEMPLATE_PURR
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commands += _TEMPLATE_PURR
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nlast = npurr
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commands = commands.format(**locals())
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@ -303,7 +304,7 @@ def make_ace(filename, temperatures=None, ace='ace', xsdir='xsdir', pendf=None,
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nace = nacer_in + 1 + 2*i
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ndir = nace + 1
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ext = '{:02}'.format(i + 1)
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commands += _ACE_TEMPLATE_ACER.format(**locals())
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commands += _TEMPLATE_ACER.format(**locals())
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# Indicate tapes to save for each ACER run
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tapeout[nace] = fname.format(ace, temperature)
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@ -428,12 +429,12 @@ def make_ace_thermal(filename, filename_thermal, temperatures=None,
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tapeout = {}
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# reconr
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commands += _ACE_TEMPLATE_RECONR
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commands += _TEMPLATE_RECONR
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nlast = npendf
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# broadr
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nbroadr = nlast + 1
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commands += _ACE_TEMPLATE_BROADR
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commands += _TEMPLATE_BROADR
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nlast = nbroadr
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# thermr
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@ -441,7 +442,7 @@ def make_ace_thermal(filename, filename_thermal, temperatures=None,
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nthermr1 = nthermr1_in + 1
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nthermr2_in = nthermr1
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nthermr2 = nthermr2_in + 1
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commands += _ACE_THERMAL_TEMPLATE_THERMR
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commands += _THERMAL_TEMPLATE_THERMR
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nlast = nthermr2
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commands = commands.format(**locals())
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@ -454,7 +455,7 @@ def make_ace_thermal(filename, filename_thermal, temperatures=None,
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nace = nthermal_acer_in + 1 + 2*i
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ndir = nace + 1
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ext = '{:02}'.format(i + 1)
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commands += _ACE_THERMAL_TEMPLATE_ACER.format(**locals())
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commands += _THERMAL_TEMPLATE_ACER.format(**locals())
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# Indicate tapes to save for each ACER run
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tapeout[nace] = fname.format(ace, temperature)
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