abinit / abipy / 1315 / 2
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gmatteo 
Latest updates on Boltztrap2 interface with Abipy (#175)

* Added Boltztrap Robot to analyse Bolztrap calculations at different temperatures.

* Improved the output of the Boltztrap interface and robot. Each results has a fixed tau temperature and fermi energy that are the ones computed abinitio. Temperature and fermi energy can then be changed at the Boltztrap level for further analysis.

* Further fixes and check for temperature in Boltztrap.

* Removed Boltztrap2 related stuff from sigeph. The entry point for Boltztrap calculations using the lifetimes is through AbipyBoltztrap.from_sigeph(sigeph).

* Updated according to interface changes in the latest version of Bolztrap.

* Option to set the energy range in the BoltzTrapResults robot.

* Unit corrections in Boltztrap driver provided by Guillaume Brunin.

* Added dump_rsphere to write a file with the real space points and coefficients in Boltztrap interpolation.

* Added a function to plot the band-structure using Boltztrap.

* Fixed wrong eigenvalue dimensions being passed to the ElectronBands when using Boltztrap interpolation for the bands.

* Some changes in representing thee data from yambopy

* Factory to create AbipyBoltztrap from Bolztrap DFTData.

* Added separate array for energies and doping meshes in the Boltztrap result class. This allows to modify the values in which to change the doping.

* Added option to normalize the displacements in the structure

* Make a Boltztrap wrapper to be compatible with the official Boltztrap distribution or the modified one using gaussian or lorentzian smearing.

* Some more docstrings for Boltztrap driver

* Moved units for Boltztrap to abinit_units.

* Changes in the plotting of the IR spectra

* Changed default arugments in Boltztrap wrapper from list to tuple

* Adress a few codacy issues.

* Some changes in Boltztrap plotting routines. Removed some repeated code introduced in previous commit.

* Small corr... (continued)

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Source Files on job 1315.2 (ABIPY_INSTALLER=conda ABIPY_COVERALLS=yes)