Samuel Tovey
Samuel Tovey
**What feature would you like to see added?** Partially in conjunction with #383 but a different consequence, we need a standardized method of assessing the accuracy of the scaling functions....
**What feature would you like to see added?** We have great single-node parallelization for our computations, the next logical step is then to have great multi-node computations so that we...
**What feature would you like to see added?** It could be nice to have automated optimization cycles for certain calculators. Something like what used to exist for the Einstein calculator...
**What feature would you like to see added?** We should make the scaling functions in the memory manager data classes.
**What feature would you like to see added?** Sometimes when running transformation things can go wrong with properties such as charge but once a hdf5 group is created it cannot...
**What feature would you like to see added?** We should add an electrophoretic mobility calculator.
**Describe the bug** The RDF is now running slower on the GPU. It is also using much less of the resources, possibly due to the restriction imposed by the memory...
**What feature would you like to see added?** It should be possible to remove an experiment from a project. **Describe how this feature would work/possible implementations** In the project class...
**What feature would you like to see added?** We should add a hydrogen bond detection calculator. **Additional context** https://pubs.acs.org/doi/10.1021/acs.jpcb.0c11392
**What feature would you like to see added?** We should add a particle density profile calculator.