AGENTS.md
CHANGELOG.md
CONTRIBUTING.md
LICENSE
MANIFEST.in
README.md
UPSTREAM.md
pyproject.toml
docs/README.md
docs/compatibility-ci.md
docs/design.md
docs/migration.md
docs/reference.md
docs/upstream-integration.md
docs/usage.md
docs/superpowers/plans/2026-10-16-cross-repository-regressions.md
docs/superpowers/plans/2026-10-16-standalone-bootstrap.md
docs/superpowers/plans/2026-10-17-1.1.0-release.md
docs/superpowers/plans/2026-10-17-abacus-atst-integration-acceptance.md
docs/superpowers/plans/2026-10-17-dual-engine-ci.md
examples/bandstructure.py
examples/cellrelax.py
examples/constraintmd.py
examples/dos.py
examples/md.py
examples/metadynamics.py
examples/neb.py
examples/relax.py
examples/scf.py
examples/soc.py
examples/socketio.py
src/abacuslite/__init__.py
src/abacuslite/core.py
src/abacuslite/xtest.sh
src/abacuslite.egg-info/PKG-INFO
src/abacuslite.egg-info/SOURCES.txt
src/abacuslite.egg-info/dependency_links.txt
src/abacuslite.egg-info/requires.txt
src/abacuslite.egg-info/top_level.txt
src/abacuslite/io/__init__.py
src/abacuslite/io/generalio.py
src/abacuslite/io/latestio.py
src/abacuslite/io/legacyio.py
src/abacuslite/utils/__init__.py
src/abacuslite/utils/ksampling.py
tests/conftest.py
tests/consumers/test_installed.py
tests/fixtures/io/testfiles/input-script
tests/fixtures/io/testfiles/lcao-symm0-nspin2-multik-cellrelax
tests/fixtures/io/testfiles/lcao-symm0-nspin2-multik-cellrelax_
tests/fixtures/io/testfiles/lcao-symm0-nspin2-multik-relax
tests/fixtures/io/testfiles/lcao-symm0-nspin2-multik-relax_
tests/fixtures/io/testfiles/lcao-symm1-nspin1-multik-scf
tests/fixtures/io/testfiles/lcao-symm1-nspin1-multik-scf_
tests/fixtures/io/testfiles/nspin4-gamma-eigocc
tests/fixtures/io/testfiles/nspin4-gamma-mddump
tests/fixtures/io/testfiles/pw-symm0-nspin4-gamma-md
tests/fixtures/io/testfiles/pw-symm0-nspin4-gamma-md_
tests/fixtures/lts_native_md/MD_dump
tests/fixtures/lts_native_md/README.md
tests/fixtures/lts_native_md/running_md.log
tests/fixtures/multiframe_md_latest/MD_dump
tests/fixtures/multiframe_md_latest/eig_occ.txt
tests/fixtures/multiframe_md_latest/running_md.log
tests/fixtures/multiframe_md_legacy/running_md.log
tests/fixtures/multiframe_scf_trial_last/INPUT
tests/fixtures/multiframe_scf_trial_last/STRU
tests/fixtures/multiframe_scf_trial_last/running_scf.log
tests/integration/__init__.py
tests/integration/common.py
tests/integration/test_band.py
tests/integration/test_magnetic.py
tests/integration/test_md.py
tests/integration/test_relax.py
tests/integration/test_scf.py
tests/integration/xtest.sh
tests/unit/test_consumer_contract.py
tests/unit/test_core.py
tests/unit/test_examples.py
tests/unit/test_frame_selection.py
tests/unit/test_generalio.py
tests/unit/test_ksampling.py
tests/unit/test_latestio.py
tests/unit/test_legacyio.py
tests/unit/test_reader_contract.py
tests/unit/test_test_configuration.py