Andreas Kraemer
First of all thanks for providing this awesome library. In our applications, it is sometimes beneficial to initialize transforms as the identity. We usually achieve this by setting all parameters...
## Description This pull request contains two features that are largely independent: 1) An extension of the alchemical facility to work with custom forces, especially NBFIXes coming from OpenMM's PSF...
TGV2D with `initialize_pressure` seems to produce larger errors than without. ``` ctx = {"device": torch.device("cuda:0"), "dtype": torch.float64, "use_native": False} lattice = lt.Lattice(lt.D2Q9, **ctx) flow = lt.TaylorGreenVortex2D( resolution=32, reynolds_number=1000, mach_number=0.05, lattice=lattice...
Tolerances are too loose for CUDA and float32. One solution would be that the `dtype_device` fixture also returns a "base tolerance" that is suitable for the given compute context.
This is a first attempt to formalize the incorporation of lattice symmetries into collision models. For now it mainly automates finding the symmetries of each stencil and converting them into...
Can we do Multi-GPU over MPI? Here is a summary of distributed computing capabilities https://pytorch.org/docs/stable/distributed.html AFAIK there are no "distributed tensors" or anything like that. But there are things like...
The computational bottleneck in LBM simulations is memory access. The current code framework handles that very naively. To boost the performance, the collision and streaming routines can be combined, like...
Hi @peastman, We were thinking about ways to assign context positions directly from torch GPU tensors in order to speed up batch processing of force and energy calculations for small...