MikeHeiber / Excimontec / 209 / 1
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coverage: 94.242% (+2.2%) from 92.088%
OPTIONS="GCC_VERSION=4.7 && MPI=openmpi && TARGET=test_coverage"

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Enhancement test coverage (#68)

General
-Updated Changelog to note the changes in this enhancement branch

main:
-Updated resultsfile output to use new separate functions for getting how many singlet and triplet excitons were dissociated

OSC_Sim class:
-Added new overloaded createExciton function that does not require input Coords and creates an exciton in a random position
-Changed name of calculateExcitonCreationCoords function to calculateRandomExcitonCreationCoords
-Replaced getN_excitons_dissociated function with getN_singlet_excitons_dissociated and getN_triplet_excitons_dissociated to allow users to gather separate statistics for singlets and triplets
-Replaced N_excitons_dissociated counter with N_singlet_excitons_dissociated and N_triplet_excitons_dissociated
-Updated createExciton(Coords, bool) function to check the lattice to see if the coordinates are occupied and generate an error if they are
-Updated executeExcitonDissociation function to separately count the singlet and triplet dissociation events
-Corrected bug in the getChargeExtractionMap function where is was skipping output of the 0,0 coordinate data

tests:
-Updated ChargeDynamicsTests by adding tests to check the transient data produced by the simulation
-Updated ExcitonDynamicsTests by adding new tests for exciton relaxation into the tail of a Gaussian DOS, triplet dissociation, and triplet annihilation mechanisms
-Updated IQETests by adding tests for the changes in the number of geminate recombinations
-Updated ObjectCreationTests by adding tests for attempts to create an exciton in a fully occupied lattice
-Updated OSC_SimTests default parameter set ToF_pnts_per_decade and Dynamics_pnts_per_decade to 10
-Updated ParameterTests by adding tests for invalid parameters in Parameters_Lattice and Parameters_Simulation
-Updated SteadyTransportTests by adding a test for attempts to create more initial polarons than there are donor sites
-Updated SteadyTranspor... (continued)

2357 of 2501 relevant lines covered (94.24%)

42442323.52 hits per line

Source Files on job 209.1 (OPTIONS="GCC_VERSION=4.7 && MPI=openmpi && TARGET=test_coverage")