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mphowardlab / azplugins

A HOOMD-blue component for soft matter simulations.
BSD 3-Clause "New" or "Revised" License
20 stars 12 forks source link

Feature/mpcd sine channel #53

Closed astatt closed 2 years ago

astatt commented 2 years ago

Roughly in good shape.

I've tested with hoomd 2.6.0 and 2.9.7, on ubuntu 18 and mac, with and without CUDA 10.1. Everything seems to be working as intended. I only tested with -DBUILD_MPCD=ON, so we should double check that all files are imported and listed where they belong. Currently, there is a unit test for mpcd particles only. I'm considering creating a separate (identical) unit test for MD particles. I've removed the wall velocity, and introduced a check that the periodicity of the wall needs to be an interger. I also put in errors for mpcd on GPU as it is not working currently (polymorphism issue).

Please have a look and let me know what you think. I'm also going to send you scripts for testing with DPD seperately.

astatt commented 2 years ago

Minus some formatting, this should also be good to go. Please let me know if I forgot something you want me to address.

mphoward commented 2 years ago

Essentially all unit tests are now passing. I think the failing 2.8.0-nocuda-mpi-double is probably a random deadlock due to the MPI configuration, as no changes have been made to these files and it is passing no problem on develop. I will review all the code and then I think this will be set to merge.

astatt commented 2 years ago

Everything looks good, unit tests pass. Ready to merge!