Fix maximum energy for generating thermal ACE files

This commit is contained in:
Paul Romano 2017-06-02 11:00:45 -05:00
parent 1bd3e0b1d0
commit c9e2e4337b

View file

@ -118,12 +118,12 @@ thermr / %%%%%%%%%%%%%%%% Add thermal scattering data (free gas) %%%%%%%%%%%%%%%
0 23 62
0 {mat} 12 {num_temp} 1 0 {iform} 1 221 1/
{temps}
0.001 4.0
0.001 {energy_max}
thermr / %%%%%%%%%%%%%%%% Add thermal scattering data (bound) %%%%%%%%%%%%%%%%%%
60 62 27
{mat_thermal} {mat} 16 {num_temp} {inelastic} {elastic} {iform} {natom} 222 1/
{temps}
0.001 4.0
0.001 {energy_max}
"""
_ACE_THERMAL_TEMPLATE_ACER = """acer /
@ -347,7 +347,6 @@ def make_ace_thermal(filename, filename_thermal, temperatures=None,
data = _THERMAL_DATA[mat_thermal]
zaids = ' '.join(str(zaid) for zaid in data.zaids[:3])
energy_max = ev_thermal.info['energy_max']
# Determine name of library
library = '{}-{}.{}'.format(*ev_thermal.info['library'])
@ -369,6 +368,7 @@ def make_ace_thermal(filename, filename_thermal, temperatures=None,
file_obj = StringIO(ev_thermal.section[7, 4])
items = endf.get_head_record(file_obj)
items, values = endf.get_list_record(file_obj)
energy_max = values[3]
natom = int(values[5])
# Note that the 'iform' parameter is omitted in NJOY 99. We assume that the