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Commits on Aug 14, 2024

• Fix the unit of EENTRO in 'compute percentile' command.

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Commits on Aug 10, 2024

• The gathered database files are saved to the directory database by default.

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Commits on Aug 6, 2024

• The plot function is updated.

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• Fix a severe bug caused by setting VASP configs.

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  8580ec4

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• Minor update.

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• Add finite temperature support for 'gather' and 'plot'.

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Commits on Aug 5, 2024

• Fix a bug in iterating through all sampling tasks.

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Commits on Jul 30, 2024

• Auto-create the batch job list for sampling tasks.

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• Set the default value 0.20 for KSPACING for accurate DFT calculations.

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Commits on Jul 29, 2024

• Fix some bugs.

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• Started working on building finite temperature (Mermin) databases.

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Commits on Apr 24, 2024

• Fix some bugs.

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• Initial commit to the linear module.

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• Add a new CLI program for summarizing number of training metrics in the database.

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Commits on Apr 3, 2024

• Merge branch 'master' of ssh://iapcm:/public/home/chenxin/repo/tensoralloy

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• Convert the plot function to a static method.

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Commits on Apr 1, 2024

• Fix a bug.

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Commits on Mar 28, 2024

• Merge branch 'master' of ssh://12.12.12.253:22/share/home/chenxin/repo/tensoralloy

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• Use original T and M when max moment <= 3.

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Commits on Mar 24, 2024

• The sampling status will be logged to a file.

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Commits on Mar 23, 2024

• Start testing the logscaled dynamic weights for losses.

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Commits on Mar 21, 2024

• The plot function is improved: the density of volumes will be plotted.

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Commits on Mar 20, 2024

• Start testing the new M and T.

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Commits on Feb 24, 2024

• Minor update.

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Commits on Feb 16, 2024

• The status function is improved.

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Commits on Feb 5, 2024

• The scf convergence of VASP jobs will be checked.

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Commits on Jan 25, 2024

• The 'tensordb create' command is updated.

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Commits on Jan 24, 2024

• Minor update.

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• The command-line interfaces of TensorDB is updated,

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Commits on Jan 23, 2024

• Use gaussian KDE instead of histogram in the plot function.

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• The plot function is improved.

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Commits on Jan 22, 2024

• Initial commit to the plot function.

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Commits on Jan 19, 2024

• Implement a parallel gather.

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Commits on Jan 11, 2024

• Initial commit to the gather function.

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• The values 'etemperature' and 'eentropy' will be saved only for finite temperature calculations.

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