Ji Qi

It seems that the `oxidation_states` should have been considered as "charge" in the `site_properties` of a structure.

@wilsonnieto Hi! From my inspection, your `mlp` executable might haven't been added to a location where the whole system can find it, or it can also be the case that...

@wilsonnieto Hi! First, this is not related to the lammps interface, as MTP training only uses the `mlp` executable. I am not able to reproduce this bug, as my notebook...

Hi @wilsonnieto, have you been able to find out the source of bug? If yes, please kindly let me know. Otherwise, I would like to reproduce the error you got...

Hi @wilsonnieto, my email is [email protected]

Hi @mind-dime , you can refer to the MLIP documentation on Gitlab for correct installation of their executables. I don't think they are supporting installation with conda. After correct installation,...

@mind-dime MLIP installation is needed to train or use MTP with MAML. MAML serves as a python interface here for convenient training and some high-throughput calculators.

@mind-dime The `radia_basis_size` is among one of the arguments supported by the [train() function](https://github.com/materialsvirtuallab/maml/blob/29e02f39572d130220c9b3eaef55ca54a46faa7f/maml/apps/pes/_mtp.py#L524-L572) of MTPotential in maml. You can check out our documentation for that function. The `min_dist` is...

> Hello! Recently, I encountered a problem of some **NAN values in the first column of the weights.XXX.data** file when NNP training. > > The following is my NNP training...

Hi @zhenming-xu , can I ask if this issue is solved?