.. include:: /autodoc_abbr_options_c.rst .. include:: /autodoc_abbr_options_plugins.rst .. glossary:: :sorted: PRINT (PLUGIN_FOCK) The amount of information printed to the output file * **Type**: integer * **Default**: 1 DEBUG (PLUGIN_FOCK) The amount of debug information printed to the output file * **Type**: integer * **Default**: 0 MODULE (PLUGIN_FOCK) What app to test? * **Type**: string * **Possible Values**: RCIS, RCPHF, RTDHF * **Default**: RCIS DO_SINGLETS (PLUGIN_FOCK) Do singlet states? Default true * **Type**: :ref:`boolean ` * **Default**: true DO_TRIPLETS (PLUGIN_FOCK) Do triplet states? Default true * **Type**: :ref:`boolean ` * **Default**: true EXPLICIT_HAMILTONIAN (PLUGIN_FOCK) Do explicit hamiltonian only? * **Type**: :ref:`boolean ` * **Default**: false CIS_AMPLITUDE_CUTOFF (PLUGIN_FOCK) Minimum singles amplitude to print in CIS analysis * **Type**: double * **Default**: 0.15 TDHF_MEM_SAFETY_FACTOR (PLUGIN_FOCK) Memory safety factor for allocating JK * **Type**: double * **Default**: 0.75 CIS_MEM_SAFETY_FACTOR (PLUGIN_FOCK) Memory safety factor for allocating JK * **Type**: double * **Default**: 0.75 CPHF_MEM_SAFETY_FACTOR (PLUGIN_FOCK) Memory safety factor for allocating JK * **Type**: double * **Default**: 0.75 CIS_OPDM_STATES (PLUGIN_FOCK) Which states to save AO OPDMs for? * Positive - Singlets * Negative - Triplets * * **Type**: array * **Default**: No Default CIS_TOPDM_STATES (PLUGIN_FOCK) Which states to save AO transition OPDMs for? * Positive - Singlets * Negative - Triplets * * **Type**: array * **Default**: No Default CIS_DOPDM_STATES (PLUGIN_FOCK) Which states to save AO difference OPDMs for? * Positive - Singlets * Negative - Triplets * * **Type**: array * **Default**: No Default CIS_NO_STATES (PLUGIN_FOCK) Which states to save AO Natural Orbitals for? * Positive - Singlets * Negative - Triplets * * **Type**: array * **Default**: No Default CIS_AD_STATES (PLUGIN_FOCK) Which states to save AD Matrices for? * Positive - Singlets * Negative - Triplets * * **Type**: array * **Default**: No Default CPHF_TASKS (PLUGIN_FOCK) Which tasks to run CPHF For * Valid choices: * -Polarizability * * **Type**: array * **Default**: No Default PRINT (JK) The amount of information printed to the output file * **Type**: integer * **Default**: 1 DEBUG (JK) The amount of debug information printed to the output file * **Type**: integer * **Default**: 0 OMP_N_THREAD (JK) The maximum number of integral threads (0 for omp_get_max_threads()) * **Type**: integer * **Default**: 0 SCHWARZ_CUTOFF (JK) The schwarz cutoff value * **Type**: double * **Default**: 1.0e-12 FITTING_CONDITION (JK) The maximum reciprocal condition allowed in the fitting metric * **Type**: double * **Default**: 1.0e-12 FITTING_ALGORITHM (JK) Fitting algorithm (0 for old, 1 for new) * **Type**: integer * **Default**: 0 SCF_TYPE (JK) SCF Type * **Type**: string * **Possible Values**: DIRECT, DF, GPUDF * **Default**: DIRECT RI_BASIS_SCF (JK) Auxiliary basis for SCF * **Type**: string * **Default**: No Default PRINT (SOLVER) The amount of information printed to the output file * **Type**: integer * **Default**: 1 DEBUG (SOLVER) The amount of debug information printed to the output file * **Type**: integer * **Default**: 0 SOLVER_MAXITER (SOLVER) Solver maximum iterations * **Type**: integer * **Default**: 100 SOLVER_CONVERGENCE (SOLVER) Solver convergence threshold (max 2-norm). See the note at the beginning of Section \ref{keywords}. * **Type**: :ref:`conv double ` * **Default**: 1.0e-6 SOLVER_N_ROOT (SOLVER) DL Solver number of roots * **Type**: integer * **Default**: 1 SOLVER_N_GUESS (SOLVER) DL Solver number of guesses * **Type**: integer * **Default**: 1 SOLVER_MIN_SUBSPACE (SOLVER) DL Solver number of subspace vectors to collapse to * **Type**: integer * **Default**: 2 SOLVER_MAX_SUBSPACE (SOLVER) DL Solver maximum number of subspace vectors * **Type**: integer * **Default**: 6 SOLVER_NORM (SOLVER) DL Solver minimum corrector norm to add to subspace * **Type**: double * **Default**: 1.0e-6 SOLVER_PRECONDITION (SOLVER) CG Solver Jacobi precondition? * **Type**: :ref:`boolean ` * **Default**: true