Minor convenience changes
Major Performance improvements for wavefunction simulation (without using expecation values)
- Fix
U.export_to("path.png)"
syntax - Deepcopy gates in
__iadd__
ofQCircuit
(#360) - Simulation performance improvements (#359)
- Only apply keymap if necessary in
simulate
- Simplify comparison and only calculate index bitstring when necessary in
from_array
- Fix
numbering_out
parameter ininitialize_bitstring
and remove MSB2LSB/LSB2MSB keymap infrom_array
- Optimize
initialize_bitstring
- Update requirements.txt (no scipy version restriction, issue #361)
- rdm calculation more flexible (#363)
- Update version.py
RDM calculations:
calling the rdm function in the quantum chemistry module with evaluate=False
gives back a tq.QTensor
object
direct evaluation within compute_rdm
is however faster (no repetitions in the simulation)
rdm1, rdm2 = mol.compute_rdms(U=U, evaluate=False)
Performance improvements @ohuettenhofer
see the original pr: #359
no syntax changes
Co-authored-by: Oliver Huettenhofer oliver.huettenhofer@gmail.com
Co-authored-by: Oliver Hüttenhofer 168852439+ohuettenhofer@users.noreply.github.com