removed unused import

qmctorch/__init__.py

@@ -1,7 +1,6 @@
 # -*- coding: utf-8 -*-
 """Documentation about QMCTorch"""
 
-from .__version__ import __version__
 
 __author__ = "Nicolas Renaud"
 __email__ = "n.renaud@esciencecenter.nl"

qmctorch/sampler/pints_sampler.py

@@ -1,9 +1,7 @@
-from tqdm import tqdm
 import torch
 import pints
 from typing import Callable, Union, Dict
 from .sampler_base import SamplerBase
-from .. import log
 
 
 class torch_model(pints.LogPDF):

qmctorch/sampler/proposal_kernels.py

@@ -1,10 +1,4 @@
-from tqdm import tqdm
 import torch
-from torch.distributions import MultivariateNormal
-from time import time
-from typing import Callable, Union, Dict
-from .sampler_base import SamplerBase
-from .. import log
 
 
 class DensityVarianceKernel(object):

qmctorch/sampler/state_dependent_normal_proposal.py

@@ -1,10 +1,5 @@
-from tqdm import tqdm
 import torch
 from torch.distributions import MultivariateNormal
-from time import time
-from typing import Callable, Union, Dict
-from .sampler_base import SamplerBase
-from .. import log
 
 
 class StateDependentNormalProposal(object):

qmctorch/scf/molecule.py

@@ -1,5 +1,4 @@
 import os
-import math
 import numpy as np
 from mendeleev import element
 from types import SimpleNamespace

qmctorch/solver/solver_base.py

@@ -1,9 +1,7 @@
-from threading import local
 from types import SimpleNamespace
 import os
 import numpy as np
 import torch
-from torch._C import Value
 from tqdm import tqdm
 
 from .. import log

qmctorch/utils/__init__.py

@@ -2,7 +2,6 @@
 
 from .algebra_utils import bdet2, bproj, btrace
 from .hdf5_utils import (
-    add_group_attr,
     dump_to_hdf5,
     load_from_hdf5,
     register_extra_attributes,
@@ -16,11 +15,6 @@
 #                         plot_integrated_autocorrelation_time,
 #                         plot_walkers_traj)
 
-from .stat_utils import (
-    blocking,
-    correlation_coefficient,
-    integrated_autocorrelation_time,
-)
 from .torch_utils import (
     DataSet,
     DataLoader,

qmctorch/wavefunction/jastrows/combine_jastrow.py

@@ -1,4 +1,3 @@
-import torch
 from torch import nn
 from functools import reduce
 

qmctorch/wavefunction/jastrows/distance/__init__.py

@@ -1,2 +0,0 @@
-from .electron_electron_distance import ElectronElectronDistance
-from .electron_nuclei_distance import ElectronNucleiDistance

qmctorch/wavefunction/jastrows/elec_elec/__init__.py

@@ -1,6 +0,0 @@
-from .jastrow_factor_electron_electron import (
-    JastrowFactorElectronElectron as JastrowFactor,
-)
-from .kernels.pade_jastrow_kernel import PadeJastrowKernel
-from .kernels.fully_connected_jastrow_kernel import FullyConnectedJastrowKernel
-from .kernels.pade_jastrow_polynomial_kernel import PadeJastrowPolynomialKernel

qmctorch/wavefunction/jastrows/elec_elec/kernels/__init__.py

@@ -1,4 +0,0 @@
-from .fully_connected_jastrow_kernel import FullyConnectedJastrowKernel
-from .jastrow_kernel_electron_electron_base import JastrowKernelElectronElectronBase
-from .pade_jastrow_kernel import PadeJastrowKernel
-from .pade_jastrow_polynomial_kernel import PadeJastrowPolynomialKernel

qmctorch/wavefunction/jastrows/elec_elec/kernels/fully_connected_jastrow_kernel.py

@@ -1,6 +1,5 @@
 import torch
 from torch import nn
-import numpy as np
 from .jastrow_kernel_electron_electron_base import JastrowKernelElectronElectronBase
 
 

qmctorch/wavefunction/jastrows/elec_elec_nuclei/__init__.py

@@ -1,5 +0,0 @@
-from .jastrow_factor_electron_electron_nuclei import (
-    JastrowFactorElectronElectronNuclei as JastrowFactor,
-)
-from .kernels.boys_handy_jastrow_kernel import BoysHandyJastrowKernel
-from .kernels.fully_connected_jastrow_kernel import FullyConnectedJastrowKernel

qmctorch/wavefunction/jastrows/elec_elec_nuclei/kernels/__init__.py

@@ -1,5 +0,0 @@
-from .fully_connected_jastrow_kernel import FullyConnectedJastrowKernel
-from .jastrow_kernel_electron_electron_nuclei_base import (
-    JastrowKernelElectronElectronNucleiBase,
-)
-from .boys_handy_jastrow_kernel import BoysHandyJastrowKernel

qmctorch/wavefunction/jastrows/elec_nuclei/__init__.py

@@ -1,3 +0,0 @@
-from .jastrow_factor_electron_nuclei import JastrowFactorElectronNuclei as JastrowFactor
-from .kernels.pade_jastrow_kernel import PadeJastrowKernel
-from .kernels.fully_connected_jastrow_kernel import FullyConnectedJastrowKernel

qmctorch/wavefunction/jastrows/elec_nuclei/kernels/__init__.py

@@ -1,3 +0,0 @@
-from .fully_connected_jastrow_kernel import FullyConnectedJastrowKernel
-from .jastrow_kernel_electron_nuclei_base import JastrowKernelElectronNucleiBase
-from .pade_jastrow_kernel import PadeJastrowKernel

qmctorch/wavefunction/jastrows/graph/__init__.py

@@ -1,2 +0,0 @@
-from .jastrow_graph import JastrowFactorGraph as JastrowFactor
-from .mgcn.mgcn_predictor import MGCNPredictor

qmctorch/wavefunction/jastrows/jastrow_factor_combined_terms.py

@@ -1,4 +1,3 @@
-import torch
 from torch import nn
 from functools import reduce
 

qmctorch/wavefunction/orbitals/backflow/__init__.py

@@ -1,7 +0,0 @@
-from .backflow_transformation import BackFlowTransformation
-from .kernels.backflow_kernel_base import BackFlowKernelBase
-from .kernels.backflow_kernel_autodiff_inverse import BackFlowKernelAutoInverse
-from .kernels.backflow_kernel_fully_connected import BackFlowKernelFullyConnected
-from .kernels.backflow_kernel_inverse import BackFlowKernelInverse
-from .kernels.backflow_kernel_power_sum import BackFlowKernelPowerSum
-from .kernels.backflow_kernel_square import BackFlowKernelSquare

qmctorch/wavefunction/orbitals/backflow/backflow_transformation.py

@@ -1,4 +1,3 @@
-import numpy
 import torch
 from torch import nn
 from .orbital_dependent_backflow_kernel import OrbitalDependentBackFlowKernel

qmctorch/wavefunction/orbitals/backflow/kernels/__init__.py

@@ -1,6 +0,0 @@
-from .backflow_kernel_base import BackFlowKernelBase
-from .backflow_kernel_autodiff_inverse import BackFlowKernelAutoInverse
-from .backflow_kernel_fully_connected import BackFlowKernelFullyConnected
-from .backflow_kernel_inverse import BackFlowKernelInverse
-from .backflow_kernel_power_sum import BackFlowKernelPowerSum
-from .backflow_kernel_square import BackFlowKernelSquare

qmctorch/wavefunction/orbitals/backflow/kernels/backflow_kernel_base.py

@@ -1,6 +1,6 @@
 import torch
 from torch import nn
-from torch.autograd import grad, Variable
+from torch.autograd import grad
 
 
 class BackFlowKernelBase(nn.Module):

qmctorch/wavefunction/orbitals/backflow/kernels/backflow_kernel_fully_connected.py

@@ -1,6 +1,5 @@
 import torch
 from torch import nn
-from torch.autograd import grad, Variable
 from .backflow_kernel_base import BackFlowKernelBase
 
 

qmctorch/wavefunction/orbitals/backflow/kernels/backflow_kernel_power_sum.py

@@ -1,4 +1,3 @@
-import torch
 from torch import nn
 from .backflow_kernel_base import BackFlowKernelBase
 

qmctorch/wavefunction/orbitals/backflow/orbital_dependent_backflow_transformation.py

@@ -1,4 +1,3 @@
-import numpy
 import torch
 from torch import nn
 from ...jastrows.distance.electron_electron_distance import ElectronElectronDistance