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This commit is contained in:
Grego01 2026-06-18 14:30:28 -04:00
parent f7d58fb315
commit c5ade92937
2 changed files with 31 additions and 11 deletions
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30
openmc/data/mf33_njoy.py
View file

@ -46,6 +46,20 @@ def _read_mat_from_endf(endf_path: Path) -> int:
raise ValueError(f"Could not infer MAT from ENDF file: {endf_path}")
return first_nonzero
def _endf_has_mf33(endf_path: Path, mat: int) -> bool:
"""Return True if the ENDF tape contains any MF=33 section for this MAT."""
with endf_path.open("r", errors="ignore") as f:
for line in f:
if len(line) < 75:
continue
try:
m = int(line[66:70])
mf = int(line[70:72])
except ValueError:
continue
if m == mat and mf == 33:
return True
return False
def _validate_energy_grid_ev(ek: Sequence[float]) -> List[float]:
ek = [float(x) for x in ek]
@ -130,7 +144,7 @@ def _errorr_mf33_input(
mat: int,
temperature: float,
ek: Sequence[float],
iwt: int = 2,
iwt: int = 6,
spectrum: Optional[Sequence[float]] = None,
relative: bool = True,
irespr: int = 1,
@ -288,12 +302,12 @@ def generate_errorr_mf33(
temperature: float = 293.6,
# processing chain
err: float = NJOY_tolerance,
minimal_processing: bool = True,
minimal_processing: bool = False,
thermr: bool = False,
unresr: bool = False,
purr: bool = False,
unresr: bool = True,
purr: bool = True,
# ERRORR options
iwt: int = 2,
iwt: int = 6,
spectrum: Optional[Sequence[float]] = None,
relative: bool = True,
irespr: int = 1,
@ -350,6 +364,12 @@ def generate_errorr_mf33(
if mat is None:
mat = _read_mat_from_endf(endf_path)
if not _endf_has_mf33(endf_path, mat):
raise ValueError(
f"ENDF file {endf_path.name} (MAT={mat}) contains no MF=33 "
f"covariance data; nothing for ERRORR to process."
)
if minimal_processing:
thermr = unresr = purr = False

12
openmc/data/xs_covariance_njoy.py
View file

@ -562,16 +562,16 @@ class NeutronXSCovariances:
else:
n_cross += 1
cross_pairs.append((int(mt_key), int(mt1_key)))
log.debug(
log.info(
"ERRORR tape33 parsed: %d MT section(s), "
"%d self-covariance block(s), %d cross-covariance block(s)",
len(reactions), n_self, n_cross,
)
if cross_pairs:
for mt_a, mt1_a in cross_pairs:
log.debug(" cross-covariance: MT %d <-> MT %d", mt_a, mt1_a)
log.info(" cross-covariance: MT %d <-> MT %d", mt_a, mt1_a)
else:
log.debug(
log.info(
" No explicit cross-covariance blocks in ERRORR output. "
"Cross-reaction correlations (if any) are handled implicitly "
"via NC-type derivation relations in the evaluation."
@ -589,7 +589,7 @@ class NeutronXSCovariances:
)
elif qa.status == "warn":
n_warnings += 1
log.debug(
log.info(
"Stage-1 MF=33 warning for MT %s -> MT1 %s: %s",
mt, mt1, "; ".join(qa.messages)
)
@ -602,7 +602,7 @@ class NeutronXSCovariances:
fcache[mt_key] = {}
for mt1, M in sec.get("COVS", {}).items():
if int(mt_key) != int(mt1):
log.debug(
log.info(
" MT %s -> MT1 %s: cross-block (%d x %d), "
"stored raw (no factorization)",
mt_key, mt1,
@ -616,7 +616,7 @@ class NeutronXSCovariances:
fcache[mt_key][mt1] = result
if result.method == "eigen_qr":
n_eigen_qr += 1
log.debug(
log.info(
" MT %s -> MT1 %s: method=%-9s rank=%d/%d ",
mt_key, mt1,
result.method,