Index

A

archive() (scine_puffin.jobs.templates.job.Job method)

available_models() (scine_puffin.programs.program.Program method)

B

bootstrap() (in module scine_puffin.bootstrap)

breakable (class in scine_puffin.jobs.templates.job) breakable.Break

C

calculation_context() (in module scine_puffin.jobs.templates.job) capture_raw_output() (scine_puffin.jobs.templates.job.Job method) check_duplicate_property() (scine_puffin.jobs.templates.job.Job method) check_install() (scine_puffin.programs.program.Program method) check_setup() (in module scine_puffin.jobloop)

clear() (scine_puffin.jobs.templates.job.Job method) complete_job() (scine_puffin.jobs.templates.job.Job method) Configuration (class in scine_puffin.config) configure_run() (scine_puffin.jobs.templates.job.Job method) Conformers (class in scine_puffin.jobs.conformers)

D

daemon() (scine_puffin.config.Configuration method) Database (class in scine_puffin.programs.database)

database() (scine_puffin.config.Configuration method) dict_generator() (in module scine_puffin.config) dump() (scine_puffin.config.Configuration method)

F

fail_job() (scine_puffin.jobs.templates.job.Job method)

failed_file() (scine_puffin.jobs.templates.job.Job method)

G

Gaussian (class in scine_puffin.programs.gaussian)

GaussianChargeModel5 (class in scine_puffin.jobs.gaussian_charge_model_5) get_collections() (scine_puffin.jobs.templates.job.Job method)

I

install() (scine_puffin.programs.program.Program method)

J

Job (class in scine_puffin.jobs.templates.job)

job_configuration_wrapper() (in module scine_puffin.jobs.templates.job)

K

kill_daemon() (in module scine_puffin.jobloop)

L

load() (scine_puffin.config.Configuration method)

loop() (in module scine_puffin.jobloop)

M

module scine_puffin.bootstrap scine_puffin.config scine_puffin.daemon scine_puffin.jobloop scine_puffin.jobs.templates.job scine_puffin.programs.program

Molassembler (class in scine_puffin.programs.molassembler)

O

Orca (class in scine_puffin.programs.orca)

OrcaGeometryOptimization (class in scine_puffin.jobs.orca_geometry_optimization)

P

postprocess_calculation_context() (scine_puffin.jobs.templates.job.Job method) prepare() (scine_puffin.jobs.templates.job.Job method)

Program (class in scine_puffin.programs.program) programs() (scine_puffin.config.Configuration method)

R

Readuct (class in scine_puffin.programs.readuct) required_programs() (scine_puffin.jobs.templates.job.Job static method) (scine_puffin.jobs.templates.job.TurbomoleJob static method)

resources() (scine_puffin.config.Configuration method) run() (scine_puffin.jobs.templates.job.Job method) (scine_puffin.jobs.templates.job.TurbomoleJob method)

S

scine_puffin.bootstrap module scine_puffin.config module scine_puffin.daemon module scine_puffin.jobloop module scine_puffin.jobs.templates.job module scine_puffin.programs.program module ScineAfir (class in scine_puffin.jobs.scine_afir) ScineBondOrders (class in scine_puffin.jobs.scine_bond_orders) ScineGeometryOptimization (class in scine_puffin.jobs.scine_geometry_optimization) ScineHessian (class in scine_puffin.jobs.scine_hessian)

ScineIrcScan (class in scine_puffin.jobs.scine_irc_scan) ScineReactComplexAfir (class in scine_puffin.jobs.scine_react_complex_afir) ScineReactComplexNt (class in scine_puffin.jobs.scine_react_complex_nt) ScineReactComplexNt2 (class in scine_puffin.jobs.scine_react_complex_nt2) ScineSinglePoint (class in scine_puffin.jobs.scine_single_point) ScineTsOptimization (class in scine_puffin.jobs.scine_ts_optimization) Serenity (class in scine_puffin.programs.serenity) set_calculation() (scine_puffin.jobs.templates.job.Job method) setup_environment() (scine_puffin.programs.program.Program method) shutdown() (in module scine_puffin.daemon) Sleep (class in scine_puffin.jobs.sleep) slow_connect() (in module scine_puffin.jobloop) Sparrow (class in scine_puffin.programs.sparrow) start_daemon() (in module scine_puffin.daemon) stop_daemon() (in module scine_puffin.daemon) store_property() (scine_puffin.jobs.templates.job.Job method) success_file() (scine_puffin.jobs.templates.job.Job method)

T

TurbomoleBondOrders (class in scine_puffin.jobs.turbomole_bond_orders) TurbomoleGeometryOptimization (class in scine_puffin.jobs.turbomole_geometry_optimization)

TurbomoleHessian (class in scine_puffin.jobs.turbomole_hessian) TurbomoleJob (class in scine_puffin.jobs.templates.job) TurbomoleSinglePoint (class in scine_puffin.jobs.turbomole_single_point)

U

Utils (class in scine_puffin.programs.utils)

V

verify_connection() (scine_puffin.jobs.templates.job.Job method)