LICENSE
NOTICE.md
README.md
pyproject.toml
LICENSES/LGPL-2.1-or-later.txt
fastmace/__init__.py
fastmace/_cache.py
fastmace/_file_locks.py
fastmace/_patches.py
fastmace/config.py
fastmace/errors.py
fastmace/events.py
fastmace/provenance.py
fastmace/quick.py
fastmace/report.py
fastmace/simulation.py
fastmace/state.py
fastmace.egg-info/PKG-INFO
fastmace.egg-info/SOURCES.txt
fastmace.egg-info/dependency_links.txt
fastmace.egg-info/entry_points.txt
fastmace.egg-info/requires.txt
fastmace.egg-info/top_level.txt
fastmace/ase/__init__.py
fastmace/ase/calculator.py
fastmace/ase/md.py
fastmace/ase/optimize.py
fastmace/bench/__init__.py
fastmace/bench/ab.py
fastmace/bench/step_time.py
fastmace/bench/versions.py
fastmace/cli/__init__.py
fastmace/cli/__main__.py
fastmace/cli/doctor.py
fastmace/cli/init.py
fastmace/cli/md.py
fastmace/cli/models.py
fastmace/cli/quench.py
fastmace/cli/relax.py
fastmace/cli/run.py
fastmace/engine/__init__.py
fastmace/engine/base.py
fastmace/engine/compiled.py
fastmace/engine/constraints.py
fastmace/engine/graph.py
fastmace/engine/reference.py
fastmace/engine/registry.py
fastmace/engine/subprocess.py
fastmace/integrators/__init__.py
fastmace/integrators/baoab.py
fastmace/integrators/base.py
fastmace/integrators/berendsen.py
fastmace/integrators/csvr.py
fastmace/integrators/langevin.py
fastmace/integrators/mtk.py
fastmace/integrators/nose_hoover.py
fastmace/integrators/nve.py
fastmace/integrators/registry.py
fastmace/integrators/schemes/__init__.py
fastmace/integrators/schemes/berendsen.py
fastmace/integrators/schemes/csvr.py
fastmace/integrators/schemes/langevin.py
fastmace/integrators/schemes/nose_hoover.py
fastmace/integrators/schemes/nve.py
fastmace/io/__init__.py
fastmace/io/durable.py
fastmace/io/output.py
fastmace/io/restart.py
fastmace/io/trajectory.py
fastmace/kernels/__init__.py
fastmace/kernels/_oeq_runtime.py
fastmace/kernels/oeq_streaming/LICENSE
fastmace/kernels/oeq_streaming/NOTICE.md
fastmace/kernels/oeq_streaming/__init__.py
fastmace/kernels/oeq_streaming/factorized_projected.cuh
fastmace/kernels/oeq_streaming/jinja_env.py
fastmace/kernels/oeq_streaming/runtime.py
fastmace/kernels/oeq_streaming/schedule.py
fastmace/kernels/triton/__init__.py
fastmace/kernels/triton/cache.py
fastmace/kernels/triton/edge_outer_sum.py
fastmace/kernels/triton/fused_integrator.py
fastmace/kernels/triton/fused_radial.py
fastmace/kernels/triton/grouped_gemm.py
fastmace/kernels/triton/inplace_linear.py
fastmace/kernels/triton/nose_hoover_chain.py
fastmace/kernels/triton/segment_gemm.py
fastmace/kernels/triton/skinny_linear.py
fastmace/kernels/triton/tf32x3_gemm.py
fastmace/kernels/triton/tile_rule.py
fastmace/longrange/__init__.py
fastmace/longrange/_d3_triton.py
fastmace/longrange/d3.py
fastmace/longrange/d3_kernel.py
fastmace/longrange/d3_term.py
fastmace/longrange/polar.py
fastmace/longrange/data/LICENSE
fastmace/longrange/data/NOTICE.md
fastmace/longrange/data/dftd3_params.npz
fastmace/mc/__init__.py
fastmace/mc/displace.py
fastmace/mc/driver.py
fastmace/mc/evaluator.py
fastmace/mc/momenta.py
fastmace/mc/moves.py
fastmace/mc/streams.py
fastmace/model/__init__.py
fastmace/model/capabilities.py
fastmace/model/compile.py
fastmace/model/dispersed.py
fastmace/model/energy.py
fastmace/model/forcefield.py
fastmace/model/forces.py
fastmace/model/labels.py
fastmace/model/loading.py
fastmace/model/templates.py
fastmace/neighbors/__init__.py
fastmace/neighbors/adaptive.py
fastmace/neighbors/buckets.py
fastmace/neighbors/d3_list.py
fastmace/neighbors/pair_search.py
fastmace/neighbors/skin.py
fastmace/optimize/__init__.py
fastmace/optimize/base.py
fastmace/optimize/cell.py
fastmace/optimize/driver.py
fastmace/optimize/fire.py
fastmace/optimize/lbfgs.py
fastmace/optimize/schemes/__init__.py
fastmace/optimize/schemes/fire.py
fastmace/optimize/schemes/frechet.py
fastmace/optimize/schemes/lbfgs.py
fastmace/planner/__init__.py
fastmace/planner/adapt.py
fastmace/planner/calibrate.py
fastmace/planner/fallback.py
fastmace/planner/fixed.py
fastmace/planner/memory.py
fastmace/planner/minimal.py
fastmace/planner/plan.py
fastmace/planner/plan_text.py
fastmace/planner/reactions.py
fastmace/planner/reproducible.py
fastmace/planner/rules.py
fastmace/planner/selfcheck.py
fastmace/planner/warnings.py
fastmace/planner/workload.py
fastmace/protocols/__init__.py
fastmace/protocols/profiles.py
fastmace/protocols/quench.py
fastmace/protocols/runner.py
fastmace/protocols/schedule.py
fastmace/protocols/data/NaNbOCl4_I4m_Ma2026.cif
fastmace/protocols/data/NbCl5_R2SCAN.cif
fastmace/protocols/data/SOURCES.md
fastmace/protocols/data/npt_anneal_NbCl5.toml
fastmace/protocols/data/npt_anneal_NbCl5_short.toml
fastmace/protocols/data/swap_anneal_NaNbOCl4.toml
fastmace/protocols/data/swap_anneal_NaNbOCl4_short.toml
fastmace/reference/__init__.py
fastmace/reference/calculators.py
fastmace/reference/d3.py
fastmace/reference/integrators.py
fastmace/reference/records.py
fastmace/rewrites/__init__.py
fastmace/rewrites/codegen.py
fastmace/rewrites/engine.py
fastmace/rewrites/inductor.py
fastmace/rewrites/memory.py
fastmace/rewrites/precision.py
fastmace/rewrites/registry.py
fastmace/rewrites/versions.py
fastmace/rewrites/fusion/__init__.py
fastmace/rewrites/fusion/modules.py
fastmace/rewrites/generic/__init__.py
fastmace/rewrites/generic/modules.py
fastmace/rewrites/linear/__init__.py
fastmace/rewrites/linear/modules.py
fastmace/rewrites/mh1/__init__.py
fastmace/rewrites/mh1/modules.py
fastmace/rewrites/polar/__init__.py
fastmace/rewrites/polar/graph_sums.py
fastmace/rewrites/polar/uvu.py
fastmace/rewrites/species/__init__.py
fastmace/rewrites/species/modules.py