The HDF5 schema
Observables within ALPS are written according to a specific hierarchical naming convention which is listed below.
Parameters
All the parameters specified in the input parameter files are stored in:
/parameters/PARAMETERNAME
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: parameter value
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Monte Carlo Data
Each observable with a given OBSERVABLENAME has the following quantities stored in the hdf5-outputfile:
/simulation/results/OBSERVABLENAME/count
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: number of measurements
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/simulation/results/OBSERVABLENAME/mean/value
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: mean value of the observable
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/simulation/results/OBSERVABLENAME/mean/error
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: error of the observable
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/simulation/results/OBSERVABLENAME/mean/error_convergence
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: error convergence of the observable
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/simulation/results/OBSERVABLENAME/variance/value
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: variance of the observable
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/simulation/results/OBSERVABLENAME/tau/value
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: autocorrelation time of the observable
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/simulation/results/OBSERVABLENAME/jacknife/data
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: jacknife data of the observable
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/simulation/results/OBSERVABLENAME/timeseries/data
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: timeseries of the mean of the observable
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/simulation/results/OBSERVABLENAME/timeseries/data2
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: timeseries of the mean of the observable squared
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/simulation/results/OBSERVABLENAME/timeseries/partialbin
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: mean of the observable in the partialbin
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/simulation/results/OBSERVABLENAME/timeseries/partialbin2
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: mean of the observable squared in the partialbin
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/simulation/results/OBSERVABLENAME/timeseries/logbinning
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: mean of the observable in the logbin
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/simulation/results/OBSERVABLENAME/timeseries/logbinning2
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: mean of the observable squared in the logbin
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/simulation/results/OBSERVABLENAME/timeseries/logbinning_last
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: mean of the observable in the last logbin
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/simulation/results/OBSERVABLENAME/timeseries/logbinning_count
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: depth of the logbinning tree
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To be deprecated? :
/simulation/results/OBSERVABLENAME/sum
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: mean of the observable
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/simulation/results/OBSERVABLENAME/sum2
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: mean of the observable squared
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In the non-aggregated hdf5-files (with the file name parm.taski.out.runj.h5) the path to the data stored is of the form: /simulation/realizations/NUMBER/clones/MPIPROCESSNUMBER/results/OBSERVABLENAME/... , where the system realization (e.g. disorder realization) is enumerated with NUMBER and the clone with the mpi process number MPIPROCESSNUMBER .
ED or DMRG Data
For observables obtained from an ED or DMRG simulation the data is stored at the following paths within the hdf5-output file:
/spectrum/energies
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: the energy eigenvalues
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/spectrum/sectors/NUMBER/energies
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: the energy values for a specific sector
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/spectrum/sectors/NUMBER/quantumnumbers/QUANTUMNUMBERNAME
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: the quantum number value of QUANTUMNUMBERNAME for a specific sector
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/spectrum/results/OBSERVABLENAME/mean/value
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: expectation value of the observable
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/spectrum/results/OBSERVABLENAME/labels
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: labels for the x-coordinate of the observable
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/spectrum/iteration/NUMBER/results/OBSERVABLENAME/mean/value
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: expectation value of the observable for a specific iteration (DMRG only)
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/spectrum/iteration/NUMBER/results/OBSERVABLENAME/labels
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: labels for the x-coordinate of the observable
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Some results that do not depend on the individual states targeted for is instead at /simulation/results with a array value containing the results for the individual iterations.
Data Attributes
- jacknife/data has the attribute:
binningtype
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: the binning scheme, schemes are: linear or logarithmic
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- timeseries/data and timeseries/data2 have the attributes:
maxbinnum
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: the maximum number of bins kept
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minbinsize
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: minimal number of measurements per bin
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binsize
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: number of measurements per bin
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binningtype
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: the binning scheme, schemes are: linear or logarithmic
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discard (deprecated)
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: bins discarded
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- /timeseries/partialbin and /timeseries/partialbin2 have the attribute:
count
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: binsize of the partialbin
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- timeseries/logbinning, timeseries/logbinning2, timeseries/logbinning_lastbin and timeseries/logbinning_counts have the attribute:
binningtype
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: the binning scheme, schemes are: linear or logarithmic
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- A HistogramObservable has the attributes:
size
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: number of entries in the histogram
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min
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: minimal x-value recordable in the histogram
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max
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: maximal x-value recordable in the histogram
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stepsize
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: the width of the interval dx in the histogram
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- A SignedObservable has the attribute:
sign
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: observable name of the sign observable, default: Sign
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- Observables can have the attributes:
cannotrebin
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: whether or not rebinning is possible, i.e. whether or not a nonlinear transformation has been performed
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changed (deprecated)
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: whether or not the data has been transformed
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nonlinearoperations (deprecated)
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: whether or not a nonlinear operation has been performed on the data
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