SKPAR
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A
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B
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C
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D
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E
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F
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G
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H
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I
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L
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M
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N
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O
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P
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R
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S
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T
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U
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W
A
about
abserr() (in module skpar.core.evaluate)
arr2s() (in module skpar.core.utils)
B
BandsOut (class in skpar.dftbutils.queryDFTB)
Bandstructure (class in skpar.dftbutils.queryDFTB)
BCC (class in skpar.dftbutils.lattice)
C
calc_masseff() (in module skpar.dftbutils.queryDFTB)
check_taskdict() (in module skpar.core.tasks)
commands
config
configure_logger() (in module skpar.core.utils)
(in module skpar.dftbutils.utils)
contributors
conv_tags (skpar.dftbutils.queryDFTB.DetailedOut attribute)
core
cost_rms() (in module skpar.core.evaluate)
create_workdir() (in module skpar.core.evaluate)
createParticle() (in module skpar.core.pso)
CUB (class in skpar.dftbutils.lattice)
D
declareTypes() (in module skpar.core.pso)
destroy_workdir() (in module skpar.core.evaluate)
DetailedOut (class in skpar.dftbutils.queryDFTB)
develop
dftbutils
E
energy_tags (skpar.dftbutils.queryDFTB.DetailedOut attribute)
eval_objectives() (in module skpar.core.evaluate)
evaluate() (skpar.core.evaluate.Evaluator method)
(skpar.core.objectives.Objective method)
Evaluator (class in skpar.core.evaluate)
evolveParticle() (in module skpar.core.pso)
evolveParticle_0() (in module skpar.core.pso)
executables
execute() (in module skpar.core.taskdict)
(in module skpar.dftbutils.utils)
expand_meffdata() (in module skpar.dftbutils.queryDFTB)
F
f2prange() (in module skpar.core.utils)
FCC (class in skpar.dftbutils.lattice)
flatten() (in module skpar.core.utils)
flatten_two() (in module skpar.core.utils)
fromfile() (skpar.dftbutils.queryDFTB.BandsOut class method)
(skpar.dftbutils.queryDFTB.DetailedOut class method)
fromfiles() (skpar.dftbutils.queryDFTB.Bandstructure class method)
G
get() (skpar.core.objectives.ObjBands method)
(skpar.core.objectives.ObjKeyValuePairs method)
(skpar.core.objectives.ObjValues method)
(skpar.core.objectives.ObjWeightedSum method)
(skpar.core.objectives.Objective method)
get_bandstructure() (in module skpar.dftbutils.queryDFTB)
get_config() (in module skpar.core.input)
get_dftbp_data() (in module skpar.dftbutils.queryDFTB)
get_dftbp_evol() (in module skpar.dftbutils.queryDFTB)
get_dftbp_klines() (in module skpar.dftbutils.lattice)
get_effmasses() (in module skpar.dftbutils.queryDFTB)
get_Ek() (in module skpar.dftbutils.queryDFTB)
get_input() (in module skpar.core.input)
get_kcomp() (skpar.dftbutils.lattice.Lattice method)
get_klines() (in module skpar.dftbutils.querykLines)
get_kvec() (in module skpar.dftbutils.lattice)
(skpar.dftbutils.lattice.Lattice method)
get_kvec_abscissa() (in module skpar.dftbutils.querykLines)
get_labels() (in module skpar.dftbutils.queryDFTB)
get_logger() (in module skpar.core.utils)
(in module skpar.dftbutils.utils)
get_model_data() (in module skpar.core.taskdict)
get_models() (in module skpar.core.objectives)
get_objective() (in module skpar.core.objectives)
get_optargs() (in module skpar.core.optimise)
get_parameters() (in module skpar.core.parameters)
get_ranges() (in module skpar.core.utils)
get_recipr_cell() (in module skpar.dftbutils.lattice)
get_refdata() (in module skpar.core.objectives)
get_refval() (in module skpar.core.objectives)
get_refval_1d() (in module skpar.core.objectives)
get_special_Ek() (in module skpar.dftbutils.queryDFTB)
get_subset_ind() (in module skpar.core.objectives)
get_tasklist() (in module skpar.core.tasks)
get_type() (in module skpar.core.objectives)
get_workdir() (in module skpar.core.evaluate)
getkLineLength() (in module skpar.dftbutils.lattice)
getSymPtLabel() (in module skpar.dftbutils.lattice)
greek() (in module skpar.dftbutils.queryDFTB)
greekLabels() (in module skpar.dftbutils.querykLines)
H
halloffame (skpar.core.pso.PSO attribute)
HEX (class in skpar.dftbutils.lattice)
I
initialise_tasks() (in module skpar.core.tasks)
install
is_monotonic() (in module skpar.core.utils)
(in module skpar.dftbutils.queryDFTB)
islistoflists() (in module skpar.core.utils)
L
Lattice (class in skpar.dftbutils.lattice)
len_pathsegments() (in module skpar.dftbutils.lattice)
license
M
magic_plot_bs() (in module skpar.dftbutils.plot)
MCL (class in skpar.dftbutils.lattice)
MCLC (class in skpar.dftbutils.lattice)
meff() (in module skpar.dftbutils.queryDFTB)
N
nBestKept (skpar.core.pso.PSO attribute)
nelec_tags (skpar.dftbutils.queryDFTB.DetailedOut attribute)
normalise() (in module skpar.core.utils)
normaliseWeights() (in module skpar.core.utils)
O
ObjBands (class in skpar.core.objectives)
Objective (class in skpar.core.objectives)
objectives
ObjKeyValuePairs (class in skpar.core.objectives)
ObjValues (class in skpar.core.objectives)
ObjWeightedSum (class in skpar.core.objectives)
optimisation
optimise() (skpar.core.pso.PSO method)
Optimiser (class in skpar.core.optimise)
ORC (class in skpar.dftbutils.lattice)
P
pAcceleration (skpar.core.pso.PSO attribute)
Parameter (class in skpar.core.parameters)
parse_cmd() (in module skpar.core.taskdict)
(in module skpar.dftbutils.utils)
parse_input() (in module skpar.core.input)
parse_weights() (in module skpar.core.objectives)
parse_weights_keyval() (in module skpar.core.objectives)
pformat() (in module skpar.core.pso)
pick_objectives() (skpar.core.taskdict.PlotTask method)
pInertia (skpar.core.pso.PSO attribute)
plot_bs() (in module skpar.dftbutils.plot)
plot_fitmeff() (in module skpar.dftbutils.queryDFTB)
PlotTask (class in skpar.core.taskdict)
prepare_for_plotsave() (in module skpar.core.taskdict)
PSO (class in skpar.core.pso)
pso_args() (in module skpar.core.pso)
R
reference
relerr() (in module skpar.core.evaluate)
report() (skpar.core.optimise.Optimiser method)
(skpar.core.pso.PSO method)
report_stats() (in module skpar.core.pso)
repr_lattice() (in module skpar.dftbutils.lattice)
RHL (class in skpar.dftbutils.lattice)
S
set_axes() (in module skpar.dftbutils.plot)
set_mplrcpar() (in module skpar.dftbutils.plot)
set_objectives() (in module skpar.core.objectives)
set_xylimits() (in module skpar.dftbutils.plot)
SKPAR (class in skpar.core.skpar)
skpar.core.evaluate (module)
skpar.core.input (module)
skpar.core.objectives (module)
skpar.core.optimise (module)
skpar.core.parameters (module)
skpar.core.pso (module)
skpar.core.skpar (module)
skpar.core.taskdict (module)
skpar.core.tasks (module)
skpar.core.utils (module)
skpar.dftbutils.lattice (module)
skpar.dftbutils.plot (module)
skpar.dftbutils.queryDFTB (module)
skpar.dftbutils.querykLines (module)
skpar.dftbutils.utils (module)
subpackages and modules
substitute_parameters() (in module skpar.core.taskdict)
substitute_template() (in module skpar.core.parameters)
summarise() (skpar.core.objectives.Objective method)
T
Task (class in skpar.core.tasks)
tasks
TET (class in skpar.dftbutils.lattice)
toolbox (skpar.core.pso.PSO attribute)
tutorials
typedict (skpar.core.parameters.Parameter attribute)
U
update_parameters() (in module skpar.core.parameters)
update_template() (in module skpar.core.parameters)
W
wrapper_PlotTask() (in module skpar.core.taskdict)
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