CHANGELOG.md
LICENSE
MANIFEST.in
README.md
pyproject.toml
examples/README.md
examples/backflow/3_1_1/25/correlation.data
examples/backflow/3_1_1/25/input
examples/backflow/3_1_1/25/out
examples/backflow/3_1_1/25/stowfn.data
examples/geminal/B/UHF/cc-pVQZ/EBES/Jastrow_emin/correlation.data
examples/geminal/B/UHF/cc-pVQZ/EBES/Jastrow_emin/gwfn.data
examples/geminal/B/UHF/cc-pVQZ/EBES/Jastrow_emin/input
examples/geminal/B/UHF/cc-pVQZ/EBES/Jastrow_emin/out
examples/geminal/B/UHF/cc-pVQZ/EBES/Jastrow_emin/parameters.casl
examples/geminal/Be/HF/cc-pVQZ/EBES/Jastrow_emin__2_geminal__next/correlation.data
examples/geminal/Be/HF/cc-pVQZ/EBES/Jastrow_emin__2_geminal__next/gwfn.data
examples/geminal/Be/HF/cc-pVQZ/EBES/Jastrow_emin__2_geminal__next/input
examples/geminal/Be/HF/cc-pVQZ/EBES/Jastrow_emin__2_geminal__next/out
examples/geminal/Be/HF/cc-pVQZ/EBES/Jastrow_emin__2_geminal__next/parameters.casl
examples/geminal/Ne/HF/cc-pVQZ/EBES/Jastrow_emin__extended/correlation.data
examples/geminal/Ne/HF/cc-pVQZ/EBES/Jastrow_emin__extended/gwfn.data
examples/geminal/Ne/HF/cc-pVQZ/EBES/Jastrow_emin__extended/input
examples/geminal/Ne/HF/cc-pVQZ/EBES/Jastrow_emin__extended/out
examples/geminal/Ne/HF/cc-pVQZ/EBES/Jastrow_emin__extended/parameters.casl
examples/geminal/Ne/MP2-CASSCF(8.13)/cc-pVQZ/EBES/Jastrow_dmc/correlation.data
examples/geminal/Ne/MP2-CASSCF(8.13)/cc-pVQZ/EBES/Jastrow_dmc/gwfn.data
examples/geminal/Ne/MP2-CASSCF(8.13)/cc-pVQZ/EBES/Jastrow_dmc/input
examples/geminal/Ne/MP2-CASSCF(8.13)/cc-pVQZ/EBES/Jastrow_dmc/out
examples/geminal/Ne/MP2-CASSCF(8.13)/cc-pVQZ/EBES/Jastrow_dmc/parameters.casl
examples/gwfn/Be/MP2-CASSCF(2.4)/cc-pVQZ/CBCS/Jastrow_emin/correlation.data
examples/gwfn/Be/MP2-CASSCF(2.4)/cc-pVQZ/CBCS/Jastrow_emin/gwfn.data
examples/gwfn/Be/MP2-CASSCF(2.4)/cc-pVQZ/CBCS/Jastrow_emin/input
examples/gwfn/Be/MP2-CASSCF(2.4)/cc-pVQZ/CBCS/Jastrow_emin/out
examples/gwfn/Kr/HF/cc-pVQZ/CBCS/Slater/gwfn.data
examples/gwfn/Kr/HF/cc-pVQZ/CBCS/Slater/input
examples/gwfn/Kr/HF/cc-pVQZ/CBCS/Slater/out
examples/ppotential_DF/B/HF/aug-cc-pVQZ-CDF/CBCS/Slater/b_pp.data
examples/ppotential_DF/B/HF/aug-cc-pVQZ-CDF/CBCS/Slater/gwfn.data
examples/ppotential_DF/B/HF/aug-cc-pVQZ-CDF/CBCS/Slater/input
examples/ppotential_DF/B/HF/aug-cc-pVQZ-CDF/CBCS/Slater/out
examples/ppotential_HF/H/HF/aug-cc-pVQZ-CDF/CBCS/Jastrow_dmc/correlation.data
examples/ppotential_HF/H/HF/aug-cc-pVQZ-CDF/CBCS/Jastrow_dmc/gwfn.data
examples/ppotential_HF/H/HF/aug-cc-pVQZ-CDF/CBCS/Jastrow_dmc/h_pp.data
examples/ppotential_HF/H/HF/aug-cc-pVQZ-CDF/CBCS/Jastrow_dmc/input
examples/ppotential_HF/H/HF/aug-cc-pVQZ-CDF/CBCS/Jastrow_dmc/out
examples/ppotential_HF/O/HF/aug-cc-pVQZ-CDF/CBCS/Backflow_emin/correlation.data
examples/ppotential_HF/O/HF/aug-cc-pVQZ-CDF/CBCS/Backflow_emin/gwfn.data
examples/ppotential_HF/O/HF/aug-cc-pVQZ-CDF/CBCS/Backflow_emin/input
examples/ppotential_HF/O/HF/aug-cc-pVQZ-CDF/CBCS/Backflow_emin/o_pp.data
examples/ppotential_HF/O/HF/aug-cc-pVQZ-CDF/CBCS/Backflow_emin/out
examples/solid/Si_test/correlation.data
examples/solid/Si_test/input
examples/solid/Si_test/out
examples/solid/Si_test/pwfn.data
examples/solid/Si_test/si_pp.data
examples/step_profile/casino_ne/0.05439.7/gwfn.data
examples/step_profile/casino_ne/0.05439.7/input
examples/step_profile/casino_ne/0.05439.7/out
examples/step_profile/casino_ne/auto.3/gwfn.data
examples/step_profile/casino_ne/auto.3/input
examples/step_profile/casino_ne/auto.3/out
examples/stowfn/He/HF/QZ4P/CBCS/Geminal/input
examples/stowfn/He/HF/QZ4P/CBCS/Geminal/out
examples/stowfn/He/HF/QZ4P/CBCS/Geminal/parameters.casl
examples/stowfn/He/HF/QZ4P/CBCS/Geminal/stowfn.data
examples/stowfn/He/HF/QZ4P/CBCS/Gjastrow/input
examples/stowfn/He/HF/QZ4P/CBCS/Gjastrow/out
examples/stowfn/He/HF/QZ4P/CBCS/Gjastrow/parameters.casl
examples/stowfn/He/HF/QZ4P/CBCS/Gjastrow/stowfn.data
examples/stowfn/He/HF/QZ4P/CBCS/Jastrow_varmin/correlation.data
examples/stowfn/He/HF/QZ4P/CBCS/Jastrow_varmin/input
examples/stowfn/He/HF/QZ4P/CBCS/Jastrow_varmin/out
examples/stowfn/He/HF/QZ4P/CBCS/Jastrow_varmin/stowfn.data
examples/stowfn/He/HF/QZ4P/EBES/Slater/input
examples/stowfn/He/HF/QZ4P/EBES/Slater/out
examples/stowfn/He/HF/QZ4P/EBES/Slater/stowfn.data
examples/stowfn/Ne/HF/QZ4P/EBES/Jastrow_dmc/correlation.data
examples/stowfn/Ne/HF/QZ4P/EBES/Jastrow_dmc/input
examples/stowfn/Ne/HF/QZ4P/EBES/Jastrow_dmc/out
examples/stowfn/Ne/HF/QZ4P/EBES/Jastrow_dmc/stowfn.data
src/casino_mcp/__init__.py
src/casino_mcp/cli.py
src/casino_mcp/correlation_data.py
src/casino_mcp/input_file.py
src/casino_mcp/jobs.py
src/casino_mcp/launcher.py
src/casino_mcp/parse_out.py
src/casino_mcp/runtime.py
src/casino_mcp/server.py
src/casino_mcp/settings.py
src/casino_mcp.egg-info/PKG-INFO
src/casino_mcp.egg-info/SOURCES.txt
src/casino_mcp.egg-info/dependency_links.txt
src/casino_mcp.egg-info/entry_points.txt
src/casino_mcp.egg-info/requires.txt
src/casino_mcp.egg-info/top_level.txt
tests/conftest.py
tests/test_cli.py
tests/test_correlation_data.py
tests/test_examples.py
tests/test_input_file.py
tests/test_jobs.py
tests/test_parse_out.py
tests/test_runtime.py
tests/test_server.py
tests/test_settings.py
tests/data/dmc_running/input
tests/data/dmc_running/out
tests/data/interrupted/input
tests/data/interrupted/out
tests/data/vmc_dmc/input
tests/data/vmc_dmc/out
tests/data/vmc_opt_emin/input
tests/data/vmc_opt_emin/out
tests/data/vmc_opt_varmin/input
tests/data/vmc_opt_varmin/out
tests/data/vmc_single/input
tests/data/vmc_single/out
tests/integration/test_blank_correlation.py
tests/integration/test_client_smoke.py
tests/integration/test_examples_envmc.py
tests/integration/test_examples_rerun.py
tests/integration/test_recipes_check_only.py
tools/protocol_dump.py
tools/refresh_examples.py