Jichen Li

Results 39 comments of Jichen Li

I got the same issue too. I can run the example, but when I setup a test project, the extension can not include the cpp-related code in to sdist(only the...

I have many tests on the example. For instance, I rename the `bindings_pybind11` with `cpp` and change related code, and then the setuptools can not find the cmakelists and `cpp`...

Thanks for your help! How to separate those basic units from the combined unit? Using `to_base_units` and then check if a `mole` exists? More generally, If I define a set...

Thanks for your concern. I have started to read the source code of `StaticStructureFactorDirect` and `msd` and hope to combine those together. I think the difficulty is to understand the...

@tommy-waltmann Hi waltmann, I start a PR as a start for intermediate scattering calculation. I write boilerplate code for both python and c++. Here is my plan: 1. We derive/extend...

> Going forward, I will jump in and alter the inheritance hierarchy of the structure factor classes, remove the ability to accumulate from the class, and make some other small...

> Hi, @Roy-Kid at this point I have finished restructuring the code so that the calculation will fit correctly into freud's structure.. Everything will compile, but the implementation is wrong....

Hi, @tommy-waltmann. I try to implement the code of `compute`, and it looks like done. But I get a fatal error at `getSelfFunction` of IntermediateScattering.cc line 121. I am confused...

Some off-topic discussion: Is it possible to provide ctypes support? Since numpy has ctypeslib, I believe it should be very easy to provide a wrapper? And according to many benchmarks,...

> > Just for the record: I did some experimenting with `nanobind`'s `ndarray` which should be very similar to what we want, and things like allocation and function calls are...