SporTran
latest
SporTran
(FKA thermocepstrum)
SporTran
GUI
Example 1: Cepstral Analysis of solid amorphous Silica
Example 2: Cepstral Analysis of liquid NaCl
Example 5: input file formats
Example 3: command line (silica)
Example 4: command line (NaCl)
Example inputs files for LAMMPS simulation of silica glass
Library API
SporTran
Index
Edit on GitHub
Index
_
|
A
|
B
|
C
|
D
|
E
|
F
|
G
|
H
|
I
|
K
|
L
|
M
|
O
|
P
|
R
|
S
|
T
|
U
|
V
|
W
_
__init__() (sportran.analysis.TCOutput method)
(sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.i_o.read_lammps_dump.LAMMPS_Dump method)
(sportran.i_o.read_lammps_log.LAMMPSLogFile method)
(sportran.i_o.read_tablefile.TableFile method)
(sportran.md.cepstral.CepstralFilter method)
(sportran.md.mdsample.MDSample method)
(sportran.md.tools.armodel.AR_Model method)
(sportran.md.tools.lpfilter.LowPassFilter method)
(sportran.plotter.cli.CLIPlotter method)
(sportran.plotter.current.CurrentPlotter method)
(sportran.plotter.mdsample.MDSamplePlotter method)
(sportran.plotter.plotter.Plotter method)
(sportran.utils.attributedict.AttributeDict method)
(sportran.utils.logger.PrintMethod method)
A
acf() (in module sportran.md.tools.acf)
acovf() (in module sportran.md.tools.acf)
add_method() (in module sportran.utils.decorators)
addPlotToPdf() (in module sportran.plotter.plotter)
append_method() (sportran.utils.logger.PrintMethod class method)
AR_Model (class in sportran.md.tools.armodel)
ar_psd() (in module sportran.md.tools.armodel)
ar_tau() (in module sportran.md.tools.armodel)
AttributeDict (class in sportran.utils.attributedict)
B
build_currents_units_table() (in module sportran.current)
C
ccf() (in module sportran.md.tools.acf)
ccovf() (in module sportran.md.tools.acf)
cepstral_analysis() (sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
CepstralFilter (class in sportran.md.cepstral)
clear() (sportran.utils.attributedict.AttributeDict method)
CLIPlotter (class in sportran.plotter.cli)
compute_acf() (sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.md.mdsample.MDSample method)
compute_gkintegral() (sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.md.mdsample.MDSample method)
compute_p_aic() (sportran.md.cepstral.CepstralFilter method)
compute_psd() (sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.md.mdsample.MDSample method)
(sportran.md.tools.armodel.AR_Model method)
compute_spectrum() (sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.md.mdsample.MDSample method)
compute_tau() (sportran.md.tools.armodel.AR_Model method)
compute_trajectory() (sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.md.mdsample.MDSample method)
concatenate_if_not_none_with_labels() (in module sportran.analysis)
copy() (sportran.utils.attributedict.AttributeDict method)
CSS_Solve() (in module sportran.md.tools.armodel)
Current (class in sportran.current.current)
CurrentPlotter (class in sportran.plotter.current)
D
data_length() (in module sportran.i_o.read_lammps_log)
(in module sportran.i_o.read_tablefile)
dct_AIC() (in module sportran.md.aic)
dct_aic_ab() (in module sportran.md.aic)
dct_AICc() (in module sportran.md.aic)
dct_coefficients() (in module sportran.md.cepstral)
dct_filter_psd() (in module sportran.md.cepstral)
dct_filter_tau() (in module sportran.md.cepstral)
E
ElectricCurrent (class in sportran.current.electric)
F
file_length() (in module sportran.i_o.read_lammps_dump)
(in module sportran.i_o.read_lammps_log)
(in module sportran.i_o.read_tablefile)
filter_and_sample() (in module sportran.md.tools.resample)
filter_psd() (sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.md.mdsample.MDSample method)
freq_red_to_THz() (in module sportran.md.tools.spectrum)
freq_THz_to_red() (in module sportran.md.tools.spectrum)
fromkeys() (sportran.utils.attributedict.AttributeDict method)
fstar_analysis() (in module sportran.current.tools)
G
generate_empirical_spectrum() (in module sportran.md.tools.spectrum)
generate_trajectory() (sportran.md.tools.armodel.AR_Model method)
GenericCurrent (class in sportran.current.generic)
get() (sportran.utils.attributedict.AttributeDict method)
get_box() (in module sportran.i_o.read_lammps_datafile)
get_natoms() (in module sportran.i_o.read_lammps_dump)
get_units_list() (sportran.current.current.Current class method)
(sportran.current.electric.ElectricCurrent class method)
(sportran.current.generic.GenericCurrent class method)
(sportran.current.heat.HeatCurrent class method)
(sportran.current.stress.StressCurrent class method)
get_volume() (in module sportran.i_o.read_lammps_dump)
gotostep() (sportran.i_o.read_lammps_log.LAMMPSLogFile method)
(sportran.i_o.read_tablefile.TableFile method)
gototimestep() (sportran.i_o.read_lammps_dump.LAMMPS_Dump method)
grid_statistics() (in module sportran.md.aic)
H
has_missing() (in module sportran.md.tools.acf)
HeatCurrent (class in sportran.current.heat)
I
initialize_cepstral_distribution() (sportran.md.cepstral.CepstralFilter method)
initialize_cepstral_parameters() (sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
initialize_psd() (sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.md.mdsample.MDSample method)
initialize_traj() (sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.md.mdsample.MDSample method)
initialize_units() (sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
integrate_acf() (in module sportran.md.tools.acf)
is_string() (in module sportran.i_o.read_lammps_dump)
(in module sportran.i_o.read_lammps_log)
(in module sportran.i_o.read_tablefile)
is_vector_variable() (in module sportran.i_o.read_lammps_dump)
(in module sportran.i_o.read_lammps_log)
(in module sportran.i_o.read_tablefile)
items() (sportran.utils.attributedict.AttributeDict method)
K
keys() (sportran.utils.attributedict.AttributeDict method)
L
LAMMPS_Dump (class in sportran.i_o.read_lammps_dump)
LAMMPSLogFile (class in sportran.i_o.read_lammps_log)
logtau_to_tau() (in module sportran.md.tools.spectrum)
LowPassFilter (class in sportran.md.tools.lpfilter)
M
main() (in module sportran.analysis)
(in module sportran.i_o.read_lammps_log)
MDSample (class in sportran.md.mdsample)
MDSamplePlotter (class in sportran.plotter.mdsample)
module
sportran
sportran.analysis
sportran.current
sportran.current.current
sportran.current.electric
sportran.current.generic
sportran.current.heat
sportran.current.stress
sportran.current.tools
sportran.current.units
sportran.current.units.constants
sportran.current.units.electric
sportran.current.units.heat
sportran.current.units.stress
sportran.i_o
sportran.i_o.read_lammps_datafile
sportran.i_o.read_lammps_dump
sportran.i_o.read_lammps_log
sportran.i_o.read_tablefile
sportran.md
sportran.md.aic
sportran.md.cepstral
sportran.md.mdsample
sportran.md.resample
sportran.md.tools
sportran.md.tools.acf
sportran.md.tools.armodel
sportran.md.tools.filter
sportran.md.tools.lpfilter
sportran.md.tools.resample
sportran.md.tools.spectrum
sportran.plotter
sportran.plotter.cli
sportran.plotter.current
sportran.plotter.mdsample
sportran.plotter.plotter
sportran.plotter.style
sportran.plotter.styles
sportran.utils
sportran.utils.attributedict
sportran.utils.decorators
sportran.utils.logger
multicomp_cepstral_parameters() (in module sportran.md.cepstral)
O
open_file() (sportran.utils.logger.PrintMethod class method)
P
plot_cepstral_spectrum() (in module sportran.plotter.plotter)
(sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.plotter.cli.CLIPlotter method)
(sportran.plotter.current.CurrentPlotter method)
plot_ck() (in module sportran.plotter.plotter)
(sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.plotter.cli.CLIPlotter method)
(sportran.plotter.current.CurrentPlotter method)
plot_cospectrum_component() (in module sportran.plotter.plotter)
(sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.plotter.cli.CLIPlotter method)
(sportran.plotter.current.CurrentPlotter method)
plot_fstar_analysis() (in module sportran.plotter.plotter)
(sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.plotter.cli.CLIPlotter method)
plot_kappa_Pstar() (in module sportran.plotter.plotter)
(sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.plotter.cli.CLIPlotter method)
(sportran.plotter.current.CurrentPlotter method)
plot_L0_Pstar() (in module sportran.plotter.plotter)
(sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.plotter.cli.CLIPlotter method)
(sportran.plotter.current.CurrentPlotter method)
plot_periodogram() (in module sportran.plotter.plotter)
(sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.md.mdsample.MDSample method)
(sportran.plotter.cli.CLIPlotter method)
(sportran.plotter.current.CurrentPlotter method)
(sportran.plotter.mdsample.MDSamplePlotter method)
plot_psd() (in module sportran.plotter.plotter)
plot_resample() (in module sportran.plotter.plotter)
(sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.md.mdsample.MDSample method)
(sportran.plotter.cli.CLIPlotter method)
(sportran.plotter.current.CurrentPlotter method)
(sportran.plotter.mdsample.MDSamplePlotter method)
plot_trajectory() (in module sportran.plotter.plotter)
(sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.md.mdsample.MDSample method)
(sportran.plotter.current.CurrentPlotter method)
(sportran.plotter.mdsample.MDSamplePlotter method)
Plotter (class in sportran.plotter.plotter)
pop() (sportran.utils.attributedict.AttributeDict method)
popitem() (sportran.utils.attributedict.AttributeDict method)
PrintMethod (class in sportran.utils.logger)
produce_p() (in module sportran.md.aic)
produce_p_density() (in module sportran.md.aic)
R
read_datalines() (sportran.i_o.read_lammps_log.LAMMPSLogFile method)
(sportran.i_o.read_tablefile.TableFile method)
read_timesteps() (sportran.i_o.read_lammps_dump.LAMMPS_Dump method)
resample() (sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.md.mdsample.MDSample method)
resample_psd() (in module sportran.md.tools.resample)
resample_timeseries() (in module sportran.md.resample)
run_analysis() (in module sportran.analysis)
runavefilter() (in module sportran.md.tools.filter)
S
save_numpy_dict() (in module sportran.i_o.read_lammps_log)
(sportran.i_o.read_lammps_log.LAMMPSLogFile method)
scale_kappa_GPa() (in module sportran.current.units.stress)
scale_kappa_gpumd() (in module sportran.current.units.electric)
(in module sportran.current.units.heat)
(in module sportran.current.units.stress)
scale_kappa_metal() (in module sportran.current.units.electric)
(in module sportran.current.units.heat)
(in module sportran.current.units.stress)
scale_kappa_qepw() (in module sportran.current.units.electric)
(in module sportran.current.units.heat)
(in module sportran.current.units.stress)
scale_kappa_real() (in module sportran.current.units.electric)
(in module sportran.current.units.heat)
(in module sportran.current.units.stress)
scan_filter_psd() (sportran.md.cepstral.CepstralFilter method)
scan_filter_tau() (sportran.md.cepstral.CepstralFilter method)
set_func() (sportran.utils.logger.PrintMethod class method)
set_method() (sportran.utils.logger.PrintMethod class method)
set_plotter() (sportran.current.current.Current class method)
(sportran.current.electric.ElectricCurrent class method)
(sportran.current.generic.GenericCurrent class method)
(sportran.current.heat.HeatCurrent class method)
(sportran.current.stress.StressCurrent class method)
(sportran.md.mdsample.MDSample class method)
setdefault() (sportran.utils.attributedict.AttributeDict method)
sportran
module
sportran.analysis
module
sportran.current
module
sportran.current.current
module
sportran.current.electric
module
sportran.current.generic
module
sportran.current.heat
module
sportran.current.stress
module
sportran.current.tools
module
sportran.current.units
module
sportran.current.units.constants
module
sportran.current.units.electric
module
sportran.current.units.heat
module
sportran.current.units.stress
module
sportran.i_o
module
sportran.i_o.read_lammps_datafile
module
sportran.i_o.read_lammps_dump
module
sportran.i_o.read_lammps_log
module
sportran.i_o.read_tablefile
module
sportran.md
module
sportran.md.aic
module
sportran.md.cepstral
module
sportran.md.mdsample
module
sportran.md.resample
module
sportran.md.tools
module
sportran.md.tools.acf
module
sportran.md.tools.armodel
module
sportran.md.tools.filter
module
sportran.md.tools.lpfilter
module
sportran.md.tools.resample
module
sportran.md.tools.spectrum
module
sportran.plotter
module
sportran.plotter.cli
module
sportran.plotter.current
module
sportran.plotter.mdsample
module
sportran.plotter.plotter
module
sportran.plotter.style
module
sportran.plotter.styles
module
sportran.utils
module
sportran.utils.attributedict
module
sportran.utils.decorators
module
sportran.utils.logger
module
StressCurrent (class in sportran.current.stress)
T
TableFile (class in sportran.i_o.read_tablefile)
TCOutput (class in sportran.analysis)
timeseries() (sportran.current.current.Current method)
(sportran.current.electric.ElectricCurrent method)
(sportran.current.generic.GenericCurrent method)
(sportran.current.heat.HeatCurrent method)
(sportran.current.stress.StressCurrent method)
(sportran.md.mdsample.MDSample method)
U
update() (sportran.utils.attributedict.AttributeDict method)
use_plot_style() (in module sportran.plotter.style)
V
values() (sportran.utils.attributedict.AttributeDict method)
W
write_log() (sportran.utils.logger.PrintMethod class method)
write_old_binary() (sportran.analysis.TCOutput method)
Read the Docs
v: latest
Versions
master
latest
v1.0.0rc1
Downloads
On Read the Docs
Project Home
Builds