Chi Cheng
Chi Cheng
**Is your feature request related to a problem? Please describe.** Currently, the correlation calculation is done so that the number of configurations it averages over is different for different times...
**Description of the error** According to the documentation (https://mdanse.readthedocs.io/en/protos/pages/structure.html#pair-distribution-function), the pair distribution function job also calculates the radial distribution function. I ran the pair distribution function job with a water...
Both the trajectory and chemical system object codes are both quite convoluted and need either replacement or some refactoring. Here are some problem with the chemical entity and trajectory objects...
**Description of the error** Some jobs have the weight setting available to be used such as the radius of gyrations. However, by looking at the code it is not being...
**Description of the error** The documentation for some analysis jobs are not consistent and need to be corrected. Additionally it will be worth checking that the theory behind these jobs...
**Description of the error** Update the documentation to explain the meaning of some example weight settings that could be used. **Additional details** Documentation: 
**Description of the error** When I run a trajectory conversion MDT files are created before completion. When the conversion jobs are deleted the MDT files are not cleaned up. **Describe...
**Description of the error** According to the documentation https://mdanse.readthedocs.io/en/protos/pages/parameters.html#weights the "total" property of a result is calculated using the following equations,  the first equation is actually the formula for...
**Description of the error** Update the information panel data in the actions tab so that it is more readable. **Suggested fix** Perhaps it should be changed so that panel is...
**Description of the error** Velocity interpolation order 1 and 2 are equivalent. This occurs because of the order=1 and order=2 numerical derivatives are equivalent in MDANSE. see MDANSE/Mathematics/Signal.py ```python if...