Michael C. Heiber
Michael C. Heiber
One idea would be to include template scripts where users could enter a parameter sweep and a parameter file generator would automatically generate the different parameter files and a job...
Consider using a standard, flexible, file format, e.g. TOML, yaml, or even XML.
It might be more user friendly to have an HTML version of the user manual in addition to the PDF.
It might be more useful to output the total calculation time to the analysis summary file instead of the average calculation time, so that one can make more accurate walltime...
Currently, when using a correlated Gaussian DOS, the program outputs DOS correlation data for each independent simulation in the group. It might be better to average the correlation data from...
Density of states correlation calculations are currently fairly slow. One option is speed things up is to not average the correlation over all sites, but only do it over a...
The state saving interval is currently being set to a default value but in the future it would be convenient to be able to adjust this interval via the parameter...
See some discussions here: https://github.com/travis-ci/travis-ci/issues/6300 See some Travis CI documentation here: https://docs.travis-ci.com/user/docker/
Currently, only Miller-Abrahams model is implement for polaron recombination, and it would be nice to add option to enable a Marcus model instead, which would allow one to test the...