MikeHeiber / Excimontec

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LAST BUILD ON BRANCH v1.0.0-rc.2

branch: v1.0.0-rc.2

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• bugfix-DOS-integral
• bugfix-ToF-sign-error
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• enhancement-steady-transport-test
• enhancement-test-coverage
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Build # 255

Build Type

push

travis-ci

Committed by web-flow

Commit Message

Enhancement steady transport test (#85)

General:
- Updated changelog to prepare for release of v1.0.0-rc.2
- Updated changelog to note all changes in this commit
- Updated Doxygen docs
- Updated .gitignore file to ignore packages directory created by MS Visual studio and files generated during testing
- Updated KMC_Lattice to v2.1.0-beta.1
- Fixed error in parameters_default.txt where the exciton hopping and annihilation rate prefactors had the incorrect units
- Updated README with additional information about the steady transport test feature and the DOS and DOOS data files it produces
- Updated README with more information about the custom site energy import feature
- Updated README with the current release status for the KMC_Lattice submodule, v2.1
- Updated Travis CI tests to run for 30 minutes without timing out instead of 20 minutes

main:
- Updated main to output equilibration energy and transport energy calculated both with and without including Coulomb potential
- Added output of current density when running a steady transport test
- Corrected bug where status output and logfile reset was only being performed when checking the error status
- Removed output of the Fermi energy
- Added output of the density of states and density of occupied states data calculated with and without Coulomb potential adjustments

OSC_Sim class:
- Added include statements for all features used to help document dependencies
- Added new functions getSteadyEquilibrationEnergy_Coulomb and getSteadyTransportEnergy_Coulomb
- Added several new private variables for calculating the steady transport test energies with Coulomb interactions
- Fixed typo in documentation for the getSteadyTransportEnergy function
- Refactored executePolaronHop function to make code more interpretable
- Updated executePolaronHop function to calculate the absolute transport energy including the HOMO energy values
- Updated executePolaronHop function to calculate the tra... (continued)

Run Details

2512 of 2658 relevant lines covered (94.51%)

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