neuralqx package

Subpackages

• neuralqx.callbacks package
  • neuralqx.callbacks.converged_state_export module
  • neuralqx.callbacks.live_monitoring module
  • neuralqx.callbacks.pairwise_gradient_cosine_callback module
• neuralqx.driver package
  • neuralqx.driver.abstract_variational_driver module
  • neuralqx.driver.vmc module
• neuralqx.experimental package
  • neuralqx.experimental.driver package
    • neuralqx.experimental.driver.mvmc module
    • neuralqx.experimental.driver.stmh_multi_vmc module
  • neuralqx.experimental.nn package
    • neuralqx.experimental.nn.projectors package
      • neuralqx.experimental.nn.projectors.stmh package
  • neuralqx.experimental.operators package
    • neuralqx.experimental.operators.symbolic package
      • neuralqx.experimental.operators.symbolic.compiler package
      • neuralqx.experimental.operators.symbolic.core package
      • neuralqx.experimental.operators.symbolic.dsl package
      • neuralqx.experimental.operators.symbolic.ir package
  • neuralqx.experimental.solver package
    • neuralqx.experimental.solver.multi_state_solver module
    • neuralqx.experimental.solver.stmh_solver module
  • neuralqx.experimental.utils package
    • neuralqx.experimental.utils.struct package
      • neuralqx.experimental.utils.struct.base module
      • neuralqx.experimental.utils.struct.fields module
      • neuralqx.experimental.utils.struct.io module
      • neuralqx.experimental.utils.struct.pytree module
      • neuralqx.experimental.utils.struct.registry module
  • neuralqx.experimental.vqs package
    • neuralqx.experimental.vqs.mc package
      • neuralqx.experimental.vqs.mc.mc_state package
• neuralqx.gauge_groups package
  • neuralqx.gauge_groups.u1 package
    • neuralqx.gauge_groups.u1.u1_gauge_group module
  • neuralqx.gauge_groups.abstract_gauge_group_interface module
• neuralqx.graph package
  • neuralqx.graph.core package
    • neuralqx.graph.core.utils package
      • neuralqx.graph.core.utils.sign_utils package
      • neuralqx.graph.core.utils.build module
      • neuralqx.graph.core.utils.checks module
      • neuralqx.graph.core.utils.embedding module
      • neuralqx.graph.core.utils.plotting module
      • neuralqx.graph.core.utils.signs module
    • neuralqx.graph.core.abstract_graph module
    • neuralqx.graph.core.graph_handler module
  • neuralqx.graph.circular_ladder module
  • neuralqx.graph.dodecahedral module
  • neuralqx.graph.graph module
  • neuralqx.graph.grid_2d module
  • neuralqx.graph.half_ladder_graph module
  • neuralqx.graph.hexagonal_lattice module
  • neuralqx.graph.hypercube module
  • neuralqx.graph.k5_graph module
  • neuralqx.graph.ladder_graph module
  • neuralqx.graph.single_vertex module
  • neuralqx.graph.triangular_lattice module
• neuralqx.hilbert package
  • neuralqx.hilbert.constraints package
    • neuralqx.hilbert.constraints.utils package
    • neuralqx.hilbert.constraints.u1_constraint module
  • neuralqx.hilbert.u1 package
    • neuralqx.hilbert.u1.index package
      • neuralqx.hilbert.u1.index.utils package
      • neuralqx.hilbert.u1.index.enumerator module
      • neuralqx.hilbert.u1.index.mapping module
    • neuralqx.hilbert.u1.layout package
      • neuralqx.hilbert.u1.layout.strided module
    • neuralqx.hilbert.u1.operations package
      • neuralqx.hilbert.u1.operations.flip module
      • neuralqx.hilbert.u1.operations.moves module
      • neuralqx.hilbert.u1.operations.random module
    • neuralqx.hilbert.u1.constrained_core module
    • neuralqx.hilbert.u1.interface module
    • neuralqx.hilbert.u1.unconstrained_core module
  • neuralqx.hilbert.utils package
    • neuralqx.hilbert.utils.index package
      • neuralqx.hilbert.utils.index.dispatch module
    • neuralqx.hilbert.utils.layout package
  • neuralqx.hilbert.abstract_hilbert_core module
  • neuralqx.hilbert.abstract_hilbert_interface module
• neuralqx.lqx package
  • neuralqx.lqx.qr package
    • neuralqx.lqx.qr.core package
      • neuralqx.lqx.qr.core.single_vertex_qrlg module
    • neuralqx.lqx.qr.abstract_single_vertex_qr_model module
    • neuralqx.lqx.qr.single_vertex_qr_interface module
  • neuralqx.lqx.spherical package
    • neuralqx.lqx.spherical.core package
      • neuralqx.lqx.spherical.core.spherical_bosw module
    • neuralqx.lqx.spherical.abstract_lqx_bosw_model module
    • neuralqx.lqx.spherical.spherical_bojowald_swiderski_interface module
  • neuralqx.lqx.wcl package
    • neuralqx.lqx.wcl.core package
      • neuralqx.lqx.wcl.core.wcl_1d module
      • neuralqx.lqx.wcl.core.wcl_3d module
      • neuralqx.lqx.wcl.core.wcl_4d module
    • neuralqx.lqx.wcl.abstract_lqx_wcl_model module
    • neuralqx.lqx.wcl.euclidean_interface module
  • neuralqx.lqx.abstract_lqx_interface module
  • neuralqx.lqx.abstract_lqx_model module
• neuralqx.nn package
  • neuralqx.nn.models package
    • neuralqx.nn.models.initialisers module
  • neuralqx.nn.projectors package
    • neuralqx.nn.projectors.group_projector package
      • neuralqx.nn.projectors.group_projector.group_projector module
    • neuralqx.nn.projectors.vacuum package
      • neuralqx.nn.projectors.vacuum.novacuum_projector module
    • neuralqx.nn.projectors.utils module
• neuralqx.operators package
  • neuralqx.operators.computational package
    • neuralqx.operators.computational.Euclidean3d package
      • neuralqx.operators.computational.Euclidean3d.jax package
      • neuralqx.operators.computational.Euclidean3d.numba package
      • neuralqx.operators.computational.Euclidean3d.dispatch module
    • neuralqx.operators.computational.Euclidean4d package
      • neuralqx.operators.computational.Euclidean4d.jax package
      • neuralqx.operators.computational.Euclidean4d.numba package
      • neuralqx.operators.computational.Euclidean4d.dispatch module
    • neuralqx.operators.computational.misc package
      • neuralqx.operators.computational.misc.jax package
      • neuralqx.operators.computational.misc.numba package
      • neuralqx.operators.computational.misc.dispatch module
    • neuralqx.operators.computational.qr package
      • neuralqx.operators.computational.qr.jax package
      • neuralqx.operators.computational.qr.numba package
      • neuralqx.operators.computational.qr.dispatch module
    • neuralqx.operators.computational.spherical package
      • neuralqx.operators.computational.spherical.jax package
      • neuralqx.operators.computational.spherical.numba package
      • neuralqx.operators.computational.spherical.dispatch module
    • neuralqx.operators.computational.wrappers package
      • neuralqx.operators.computational.wrappers.jax package
      • neuralqx.operators.computational.wrappers.numba package
  • neuralqx.operators.types package
    • neuralqx.operators.types.computational_operator package
      • neuralqx.operators.types.computational_operator.base module
      • neuralqx.operators.types.computational_operator.jax module
    • neuralqx.operators.types.functional_local_operator package
      • neuralqx.operators.types.functional_local_operator.base module
      • neuralqx.operators.types.functional_local_operator.compile_helpers module
      • neuralqx.operators.types.functional_local_operator.convert module
      • neuralqx.operators.types.functional_local_operator.helpers module
      • neuralqx.operators.types.functional_local_operator.jax module
      • neuralqx.operators.types.functional_local_operator.numba module
  • neuralqx.operators.coloring module
  • neuralqx.operators.creation module
  • neuralqx.operators.holonomies module
  • neuralqx.operators.number module
• neuralqx.optimizer package
  • neuralqx.optimizer.solvers package
    • neuralqx.optimizer.solvers.builds module
    • neuralqx.optimizer.solvers.export module
    • neuralqx.optimizer.solvers.solvers module
    • neuralqx.optimizer.solvers.types module
  • neuralqx.optimizer.builds module
  • neuralqx.optimizer.export module
  • neuralqx.optimizer.optimizer module
  • neuralqx.optimizer.schedule module
  • neuralqx.optimizer.types module
• neuralqx.profile package
  • neuralqx.profile.aggregate module
  • neuralqx.profile.decorators module
  • neuralqx.profile.profiler module
  • neuralqx.profile.summary module
• neuralqx.samplers package
  • neuralqx.samplers.rules package
  • neuralqx.samplers.builds module
  • neuralqx.samplers.export module
  • neuralqx.samplers.sampler module
  • neuralqx.samplers.types module
• neuralqx.solver package
  • neuralqx.solver.solver module
• neuralqx.utils package
  • neuralqx.utils.distributed package
    • neuralqx.utils.distributed.core module
    • neuralqx.utils.distributed.io module
  • neuralqx.utils.dtypes package
    • neuralqx.utils.dtypes.names module
    • neuralqx.utils.dtypes.policy module
    • neuralqx.utils.dtypes.runtime module
  • neuralqx.utils.io package
    • neuralqx.utils.io.loggers package
      • neuralqx.utils.io.loggers.logger module
    • neuralqx.utils.io.printing package
      • neuralqx.utils.io.printing.nqxprinter module
      • neuralqx.utils.io.printing.types module
    • neuralqx.utils.io.runtime_loggers package
      • neuralqx.utils.io.runtime_loggers.deferred_runtime_log module
  • neuralqx.utils.jax package
    • neuralqx.utils.jax.djaxrun module
    • neuralqx.utils.jax.sharding module
  • neuralqx.utils.misc package
    • neuralqx.utils.misc.arithmetic module
    • neuralqx.utils.misc.auth module
    • neuralqx.utils.misc.charges module
    • neuralqx.utils.misc.graph module
    • neuralqx.utils.misc.levi_civita module
    • neuralqx.utils.misc.modifiers module
    • neuralqx.utils.misc.triangulation module
  • neuralqx.utils.module package
    • neuralqx.utils.module.version package
      • neuralqx.utils.module.version.coercion module
      • neuralqx.utils.module.version.module_version module
      • neuralqx.utils.module.version.neuralqx_version module
      • neuralqx.utils.module.version.version module
    • neuralqx.utils.module.dependency_check module
    • neuralqx.utils.module.optional_dependency module
    • neuralqx.utils.module.version_check module
  • neuralqx.utils.symmetries package
    • neuralqx.utils.symmetries.types package
      • neuralqx.utils.symmetries.types.automorphism module
      • neuralqx.utils.symmetries.types.cycle module
      • neuralqx.utils.symmetries.types.permutation module
      • neuralqx.utils.symmetries.types.symmetry module
      • neuralqx.utils.symmetries.types.utils module
    • neuralqx.utils.symmetries.graph_symmetries module
    • neuralqx.utils.symmetries.utils module
  • neuralqx.utils.deprecation module
  • neuralqx.utils.errors module
  • neuralqx.utils.experimental module
  • neuralqx.utils.jit module
  • neuralqx.utils.numbers module
  • neuralqx.utils.parsing module
  • neuralqx.utils.serialization module
• neuralqx.vqs package
  • neuralqx.vqs.mc package
    • neuralqx.vqs.mc.mc_state package
      • neuralqx.vqs.mc.mc_state.expect module
      • neuralqx.vqs.mc.mc_state.expect_chunked module
      • neuralqx.vqs.mc.mc_state.expect_forces module
      • neuralqx.vqs.mc.mc_state.expect_forces_chunked module
      • neuralqx.vqs.mc.mc_state.expect_grad module
      • neuralqx.vqs.mc.mc_state.expect_grad_chunked module
      • neuralqx.vqs.mc.mc_state.state module
      • neuralqx.vqs.mc.mc_state.utils module
    • neuralqx.vqs.mc.common module
    • neuralqx.vqs.mc.kernels module
  • neuralqx.vqs.base module

Submodules

• neuralqx.configs module
• neuralqx.debug module