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refactor: NAC entrance #4

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Merged
wtpeter merged 1 commit into from
Jul 11, 2026
Merged

refactor: NAC entrance #4

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3 changes: 1 addition & 2 deletions src/nest/__init__.py
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Expand Up @@ -16,8 +16,7 @@
"""nest package."""

from nest import nttda, sftda
from nest import nac

__version__ = "0.1.0"

__all__ = ["__version__", "nac", "nttda", "sftda"]
__all__ = ["__version__", "nttda", "sftda"]
5 changes: 0 additions & 5 deletions src/nest/nac/tduks_sf.py
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Expand Up @@ -657,8 +657,3 @@ def reset_phase(self):


NAC = NonAdiabaticCouplings

from nest.sftda import uhf_sf

uhf_sf.TDA_SF.NAC = uhf_sf.TDDFT_SF.NAC = lib.class_as_method(NonAdiabaticCouplings)
uhf_sf.TDA_SF.nac_method = uhf_sf.TDDFT_SF.nac_method = uhf_sf.TDA_SF.NAC
5 changes: 5 additions & 0 deletions src/nest/sftda/uhf_sf.py
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Expand Up @@ -711,6 +711,11 @@ def Gradients(self):
from nest.grad import tduks_sf
return tduks_sf.Gradients(self)

def NAC(self):
from nest.nac import tduks_sf
return tduks_sf.NAC(self)
nac_method = NAC

analyze = analyze
transition_dipole = transition_dipole
oscillator_strength = oscillator_strength
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