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Bind tpb::SBD::seed, so a random initial vector is actually controllable #48

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Merged
Sophia Wen (hfwen0502) merged 4 commits into from
Sep 30, 2026
Merged

Bind tpb::SBD::seed, so a random initial vector is actually controllable #48

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3f1a9c9
Bind tpb::SBD::seed, so a random initial vector is actually controllable
hfwen0502 Sep 30, 2026
a486ef0
run_sbd_diag: add --seed, so --init 1 is usable from the driver
hfwen0502 Sep 30, 2026
cd73ba8
Drop test_config_bindings.py
hfwen0502 Sep 30, 2026
0ffaf28
run_sbd_diag: say what --init actually does
hfwen0502 Sep 30, 2026
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11 changes: 10 additions & 1 deletion examples/tpb/run_sbd_diag.py
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Original file line number Diff line number Diff line change
Expand Up @@ -107,7 +107,15 @@ def parse_args():

# Initialization and options
parser.add_argument('--init', type=int, default=0,
help='Initialization method')
help='Starting vector. 0 puts unit weight on the FIRST '
'determinant of the basis -- which is Hartree-Fock only '
'if the basis happens to be ordered that way. 1 is random. '
'Nothing else is implemented, and other values start from '
'a zero vector without complaining')
parser.add_argument('--seed', type=int, default=1729,
help='Seed for --init 1, ignored otherwise (default matches '
"upstream's). Vary it to check whether a result depends "
'on where the solver started; the energy should not')
parser.add_argument('--shuffle', '--do_shuffle', type=int, default=0, dest='do_shuffle',
help='Shuffle determinants loaded from --adetfile before '
'mirroring/deriving beta from them (0=no, 1-4=yes, '
Expand Down Expand Up @@ -186,6 +194,7 @@ def main():
config.max_nb = args.max_nb
config.max_time = args.max_time
config.init = args.init
config.seed = args.seed
config.do_shuffle = args.do_shuffle
config.do_rdm = 1 if args.rdm_output else 0
config.bit_length = args.bit_length
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2 changes: 2 additions & 0 deletions python/bindings.cpp
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Expand Up @@ -202,6 +202,8 @@ PYBIND11_MODULE(SBD_MODULE_NAME, m) {
"Maximum time in seconds")
.def_readwrite("init", &sbd::tpb::SBD::init,
"Initialization method")
.def_readwrite("seed", &sbd::tpb::SBD::seed,
"Seed for the random initial vector (init = 1)")
.def_readwrite("do_shuffle", &sbd::tpb::SBD::do_shuffle,
"Shuffle determinants flag")
.def_readwrite("do_rdm", &sbd::tpb::SBD::do_rdm,
Expand Down
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