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Fix phonopy.
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knc6 committed Aug 19, 2023
1 parent a48b14d commit 2c43595
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Showing 2 changed files with 4 additions and 4 deletions.
4 changes: 2 additions & 2 deletions jarvis/io/phonopy/outputs.py
Original file line number Diff line number Diff line change
Expand Up @@ -117,7 +117,7 @@ def get_phonon_tb(
force_constants_decimals=None,
symprec=symprec,
is_symmetry=True,
use_lapack_solver=False,
# use_lapack_solver=False,
log_level=1,
)

Expand All @@ -128,7 +128,7 @@ def get_phonon_tb(
phonon._set_dynamical_matrix()
dmat = phonon._dynamical_matrix
# rescale fcmat by THZ**2
fcmat = dmat._force_constants * factor ** 2 # FORCE_CONSTANTS
fcmat = dmat._force_constants * factor**2 # FORCE_CONSTANTS
# fcmat = dmat._force_constants * factor ** 2 # FORCE_CONSTANTS
smallest_vectors = dmat._smallest_vectors
# mass = dmat._mass
Expand Down
4 changes: 2 additions & 2 deletions jarvis/tests/testfiles/io/qiskit/test_hermsolver.py
Original file line number Diff line number Diff line change
Expand Up @@ -70,7 +70,7 @@ def variational_circuit(num_qubits=2, reps=1):
custom_circ.cx(i, j)


qc = variational_circuit()
# qc = variational_circuit()


def test_inp():
Expand Down Expand Up @@ -119,4 +119,4 @@ def test_inp():
# H.run_qpe()


# test_inp()
#test_inp()

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