Index

Symbols

--angle leruli-graph-to-image command line option --cores leruli-task-submit command line option --format leruli-graph-to-geometry command line option leruli-graph-to-image command line option --memory leruli-task-submit command line option --quiet leruli-graph-to-solvation-energy command line option --reference leruli-canonical-formula command line option leruli-canonical-graph command line option leruli-formula-to-cost command line option leruli-formula-to-graphs command line option leruli-graph-to-boiling-point command line option leruli-graph-to-formula command line option leruli-graph-to-geometry command line option leruli-graph-to-image command line option leruli-graph-to-logd command line option leruli-graph-to-logp command line option leruli-graph-to-melting-point command line option leruli-graph-to-name command line option leruli-graph-to-pka command line option leruli-graph-to-solvation-energy command line option leruli-name-to-graph command line option

--time leruli-task-submit command line option --version leruli-canonical-formula command line option leruli-canonical-graph command line option leruli-formula-to-cost command line option leruli-formula-to-graphs command line option leruli-graph-to-boiling-point command line option leruli-graph-to-formula command line option leruli-graph-to-geometry command line option leruli-graph-to-image command line option leruli-graph-to-logd command line option leruli-graph-to-logp command line option leruli-graph-to-melting-point command line option leruli-graph-to-name command line option leruli-graph-to-pka command line option leruli-graph-to-solvation-energy command line option leruli-name-to-graph command line option

B

BASISSET leruli-formula-to-cost command line option

BUCKET leruli-task-get command line option leruli-task-prune command line option

C

canonical_formula() (in module leruli) canonical_graph() (in module leruli) CODE leruli-task-publish-code command line option leruli-task-submit command line option

COMMAND leruli-task-submit command line option

F

FILENAME leruli-graph-to-image command line option FORMULA leruli-canonical-formula command line option leruli-formula-to-cost command line option leruli-formula-to-graphs command line option

formula_to_cost() (in module leruli) formula_to_graphs() (in module leruli)

G

GRAPH leruli-canonical-graph command line option leruli-graph-to-boiling-point command line option leruli-graph-to-formula command line option leruli-graph-to-geometry command line option leruli-graph-to-image command line option leruli-graph-to-logd command line option leruli-graph-to-logp command line option leruli-graph-to-melting-point command line option leruli-graph-to-name command line option leruli-graph-to-pka command line option leruli-graph-to-solvation-energy command line option

graph_to_boiling_point() (in module leruli) graph_to_formula() (in module leruli) graph_to_geometry() (in module leruli) graph_to_image() (in module leruli) graph_to_logD() (in module leruli) graph_to_logP() (in module leruli) graph_to_melting_point() (in module leruli) graph_to_name() (in module leruli) graph_to_pKa() (in module leruli) graph_to_solvation_energy() (in module leruli)

J

JOBID leruli-task-status command line option

L

leruli module leruli-canonical-formula command line option --reference --version FORMULA leruli-canonical-graph command line option --reference --version GRAPH leruli-formula-to-cost command line option --reference --version BASISSET FORMULA leruli-formula-to-graphs command line option --reference --version FORMULA leruli-graph-to-boiling-point command line option --reference --version GRAPH leruli-graph-to-formula command line option --reference --version GRAPH leruli-graph-to-geometry command line option --format --reference --version GRAPH leruli-graph-to-image command line option --angle --format --reference --version FILENAME GRAPH leruli-graph-to-logd command line option --reference --version GRAPH

leruli-graph-to-logp command line option --reference --version GRAPH leruli-graph-to-melting-point command line option --reference --version GRAPH leruli-graph-to-name command line option --reference --version GRAPH leruli-graph-to-pka command line option --reference --version GRAPH leruli-graph-to-solvation-energy command line option --quiet --reference --version GRAPH SOLVENT TEMPERATURES leruli-name-to-graph command line option --reference --version NAME leruli-task-get command line option BUCKET leruli-task-prune command line option BUCKET leruli-task-publish-code command line option CODE VERSION leruli-task-status command line option JOBID leruli-task-submit command line option --cores --memory --time CODE COMMAND VERSION

M

module leruli

N

NAME leruli-name-to-graph command line option

name_to_graph() (in module leruli)

S

SOLVENT leruli-graph-to-solvation-energy command line option

T

task_cancel() (in module leruli) task_get() (in module leruli) task_prune() (in module leruli) task_publish_code() (in module leruli)

task_status() (in module leruli) task_submit() (in module leruli) TEMPERATURES leruli-graph-to-solvation-energy command line option

V

VERSION leruli-task-publish-code command line option leruli-task-submit command line option