unused import in test

tests/solver/test_base_solver.py

@@ -1,8 +1,5 @@
 import unittest
 
-import numpy as np
-import torch
-import torch.optim as optim
 
 
 class BaseTestSolvers:

tests/solver/test_h2_adf_jacobi.py

@@ -1,6 +1,5 @@
 import unittest
 
-import numpy as np
 import torch
 import torch.optim as optim
 

tests/solver/test_h2_pyscf_geo_opt.py

@@ -6,10 +6,6 @@
 
 
 from qmctorch.sampler import Metropolis
-from qmctorch.utils.plot_data import (plot_block, plot_blocking_energy,
-                                      plot_correlation_coefficient,
-                                      plot_integrated_autocorrelation_time,
-                                      plot_walkers_traj)
 from qmctorch.scf import Molecule
 from qmctorch.wavefunction.slater_jastrow import SlaterJastrow
 from qmctorch.wavefunction.jastrows.elec_elec import JastrowFactor, PadeJastrowKernel

tests/solver/test_h2_pyscf_metropolis.py

@@ -1,4 +1,3 @@
-from qmctorch.wavefunction import jastrows
 import unittest
 
 import numpy as np

tests/solver/test_lih_pyscf_backflow.py

@@ -1,4 +1,3 @@
-from tests.wavefunction.test_slaterjastrow import TestSlaterJastrow
 import unittest
 
 import numpy as np

tests/solver/test_lih_pyscf_compare_backflow.py

@@ -1,4 +1,3 @@
-from tests.wavefunction.test_slaterjastrow import TestSlaterJastrow
 import unittest
 
 import numpy as np

tests/solver/test_lih_pyscf_generic_backflow.py

@@ -1,4 +1,3 @@
-from tests.wavefunction.test_slaterjastrow import TestSlaterJastrow
 import unittest
 
 import numpy as np

tests/solver/test_lih_pyscf_orbital_dependent_backflow.py

@@ -1,4 +1,3 @@
-from tests.wavefunction.test_slaterjastrow import TestSlaterJastrow
 import unittest
 
 import numpy as np

tests/wavefunction/base_test_cases.py

@@ -1,7 +1,6 @@
 import unittest
 from torch.autograd import grad, gradcheck, Variable
 
-import numpy as np
 import torch
 
 

tests/wavefunction/jastrows/distance/test_elec_elec_distance.py

@@ -1,5 +1,5 @@
 import torch
-from torch.autograd import Variable, grad, gradcheck
+from torch.autograd import Variable, grad
 from qmctorch.wavefunction.jastrows.distance import ElectronElectronDistance
 import unittest
 

tests/wavefunction/jastrows/elec_elec/base_elec_elec_jastrow_test.py

@@ -1,7 +1,6 @@
 import unittest
 from torch.autograd import grad, gradcheck, Variable
 
-import numpy as np
 import torch
 
 

tests/wavefunction/jastrows/elec_elec_nuc/test_hess.py

@@ -1,5 +1,4 @@
 import torch
-from torch import nn
 from torch.autograd import grad
 from torch.autograd.variable import Variable
 

tests/wavefunction/jastrows/elec_elec_nuc/test_three_body_jastrow_boys_handy.py

@@ -2,7 +2,7 @@
 from types import SimpleNamespace
 import numpy as np
 import torch
-from torch.autograd import Variable, grad, gradcheck
+from torch.autograd import Variable, grad
 from qmctorch.wavefunction.jastrows.elec_elec_nuclei.jastrow_factor_electron_electron_nuclei import JastrowFactorElectronElectronNuclei
 from qmctorch.wavefunction.jastrows.elec_elec_nuclei.kernels.boys_handy_jastrow_kernel import BoysHandyJastrowKernel
 

tests/wavefunction/jastrows/elec_elec_nuc/test_three_body_jastrow_fully_connected.py

@@ -2,7 +2,7 @@
 from types import SimpleNamespace
 import numpy as np
 import torch
-from torch.autograd import Variable, grad, gradcheck
+from torch.autograd import Variable, grad
 from qmctorch.wavefunction.jastrows.elec_elec_nuclei.jastrow_factor_electron_electron_nuclei import JastrowFactorElectronElectronNuclei
 from qmctorch.wavefunction.jastrows.elec_elec_nuclei.kernels.fully_connected_jastrow_kernel import FullyConnectedJastrowKernel
 

tests/wavefunction/jastrows/test_combined_terms.py

@@ -7,7 +7,7 @@
 from qmctorch.wavefunction.jastrows.jastrow_factor_combined_terms import JastrowFactorCombinedTerms
 from qmctorch.wavefunction.jastrows.elec_elec.kernels import PadeJastrowKernel as PadeJastrowKernelElecElec
 from qmctorch.wavefunction.jastrows.elec_nuclei.kernels import PadeJastrowKernel as PadeJastrowKernelElecNuc
-from qmctorch.wavefunction.jastrows.elec_elec_nuclei.kernels import BoysHandyJastrowKernel, FullyConnectedJastrowKernel
+from qmctorch.wavefunction.jastrows.elec_elec_nuclei.kernels import BoysHandyJastrowKernel
 
 torch.set_default_tensor_type(torch.DoubleTensor)
 

tests/wavefunction/orbitals/backflow/test_backflow_kernel_generic_pyscf.py

@@ -1,7 +1,6 @@
 import unittest
 
 import torch
-from pyscf import gto
 from torch import nn
 from torch.autograd import Variable, grad
 import numpy as np

tests/wavefunction/orbitals/backflow/test_backflow_kernel_inverse_pyscf.py

@@ -1,8 +1,7 @@
 import unittest
 
 import torch
-from pyscf import gto
-from torch.autograd import Variable, grad, gradcheck
+from torch.autograd import Variable, grad
 import numpy as np
 
 from qmctorch.scf import Molecule

tests/wavefunction/orbitals/backflow/test_backflow_transformation_pyscf.py

@@ -1,8 +1,7 @@
 import unittest
 
 import torch
-from pyscf import gto
-from torch.autograd import Variable, grad, gradcheck
+from torch.autograd import Variable, grad
 import numpy as np
 from qmctorch.scf import Molecule
 from qmctorch.wavefunction.orbitals.backflow.backflow_transformation import BackFlowTransformation

tests/wavefunction/orbitals/backflow/test_orbital_dependent_backflow_transformation_pyscf.py

@@ -1,7 +1,6 @@
 import unittest
 
 import torch
-from pyscf import gto
 from torch.autograd import Variable, grad
 import numpy as np
 from qmctorch.scf import Molecule

tests/wavefunction/orbitals/test_ao_derivatives_adf.py

@@ -1,6 +1,5 @@
 from ...path_utils import PATH_TEST
 import unittest
-import numpy as np
 import torch
 
 from .base_test_ao import BaseTestAO

tests/wavefunction/orbitals/test_backflow_ao_derivatives_pyscf.py

@@ -1,11 +1,9 @@
 import unittest
 
 import torch
-from pyscf import gto
-from torch.autograd import Variable, grad, gradcheck
+from torch.autograd import Variable, grad
 import numpy as np
 from qmctorch.scf import Molecule
-from qmctorch.wavefunction import SlaterJastrow
 from qmctorch.wavefunction.orbitals.atomic_orbitals_backflow import AtomicOrbitalsBackFlow
 from qmctorch.wavefunction.orbitals.backflow.backflow_transformation import BackFlowTransformation
 from qmctorch.wavefunction.orbitals.backflow.kernels import BackFlowKernelInverse

tests/wavefunction/orbitals/test_cartesian_harmonics.py

@@ -1,6 +1,5 @@
 import unittest
 
-import numpy as np
 import torch
 from torch.autograd import grad, Variable
 

tests/wavefunction/orbitals/test_orbital_dependent_backflow_ao_derivatives_pyscf.py

@@ -1,11 +1,9 @@
 import unittest
 
 import torch
-from pyscf import gto
-from torch.autograd import Variable, grad, gradcheck
+from torch.autograd import Variable, grad
 import numpy as np
 from qmctorch.scf import Molecule
-from qmctorch.wavefunction import SlaterJastrow
 from qmctorch.wavefunction.orbitals.atomic_orbitals_backflow import AtomicOrbitalsBackFlow
 from qmctorch.wavefunction.orbitals.backflow.backflow_transformation import BackFlowTransformation
 from qmctorch.wavefunction.orbitals.backflow.kernels import BackFlowKernelInverse

tests/wavefunction/orbitals/test_radial_gto.py

@@ -4,7 +4,6 @@
 import torch
 
 from qmctorch.scf import Molecule
-from qmctorch.wavefunction import SlaterJastrow
 from qmctorch.wavefunction.orbitals.atomic_orbitals import AtomicOrbitals
 from .second_derivative import second_derivative
 

tests/wavefunction/orbitals/test_radial_sto.py

@@ -8,7 +8,6 @@
 from ...path_utils import PATH_TEST
 from .second_derivative import second_derivative
 
-import matplotlib.pyplot as plt
 
 
 class TestRadialSlater(unittest.TestCase):

tests/wavefunction/orbitals/test_spherical_harmonics.py

@@ -1,6 +1,5 @@
 import unittest
 
-import numpy as np
 import torch
 
 from qmctorch.wavefunction.orbitals.spherical_harmonics import Harmonics

tests/wavefunction/test_slaterjastrow_ee_cusp.py

@@ -9,7 +9,7 @@
 from qmctorch.utils import set_torch_double_precision
 
 from qmctorch.wavefunction.jastrows.elec_elec.jastrow_factor_electron_electron import JastrowFactorElectronElectron
-from qmctorch.wavefunction.jastrows.elec_elec.kernels import FullyConnectedJastrowKernel, PadeJastrowKernel
+from qmctorch.wavefunction.jastrows.elec_elec.kernels import PadeJastrowKernel
 
 
 torch.set_default_tensor_type(torch.DoubleTensor)