CP2K 8.1 CDFT exact-weight evaluator minimal context
prepared_utc=2026-07-24T02:15:57Z
cp2k_version=8.1
executable_revision=git:0b61f2f
container_source_head=0bfbd41a7402152da7b86a103d5d95a4184367d9
release_tag=v8.1.0
wrapper_sha256=c786e567853dbe8fafb35a91ec25ba1ca8f5ea5c02d30f5cdf056719ce9bc2d1
input_xml_sha256=728c139a1d87554490e67f0ab30f1f5c78f944dad5e87671894e1aa833f281f4
container_executable=/cp2k/exe/local/cp2k.psmp
container_source_root=/cp2k/src
account_path_withheld=yes
source_validation_decision=B_minimal_source_hook_exact_and_sufficient
weight_print_timing=B_weight_print_is_exact_but_only_reached_after_CDFT_outer_loop_starts
weight_density_independence=PASS_for_fixed_builder_inputs
target_strength_multiplier_independence=PASS_for_weight_grid
preferred_architecture=E2_minimal_CP2K81_source_hook
E2_hook=design_only_not_implemented
current_calculation_authorization=zero_jobs
coordinates_attached=no
wfn_attached=no
trajectory_attached=no
cube_attached=no
binary_attached=no
full_source_tree_attached=no
source_sha256[qs_cdft_methods.F]=98a983f86206d17733385226ed73e806d2d74ec9fe4704b08dd6c64f4bac52d5
source_sha256[qs_cdft_types.F]=cbf071d19462ab7dcabb04ff04b1ce604b917172cca4861f5343184c05fc2cf2
source_sha256[qs_cdft_utils.F]=db2127ba70af0258f08e612869e1baa03c9423fc3d1de1d70ed2408e6653a440
source_sha256[qs_scf.F]=036165ca3382c19a61aeba0fdb9e83cfd1bac555c82c8ece43446dc739cbbd28
source_sha256[qs_outer_scf.F]=880b4b35b64bf8ae2632b46967df83f2322b97b16ea80c547bbfba90d35367a4
source_sha256[qs_ks_apply_restraints.F]=8246a7087fc9cba4d1e6f70d12e6379e95076ca43d2664ab22e3c436938e3b0e
source_sha256[qs_ks_methods.F]=dd8a2126ce924701fcc1c2cdec58df0a330e8a72d15bb7b81ca456fc93ef2771
source_sha256[qs_ks_utils.F]=a35b46205b9ab2062a8e1b72ebbfa26abff6da64d5cb6a78eb21f4ad0b522f9e
source_sha256[hirshfeld_methods.F]=ce2b6e6fe7b8ae2c8f8e58c9f730daf5f3e268d139ca1add98ea60c80308eaea
