|
|
a22923aee2
|
Added the API for the umutual kernel, needs work for storing the tdiptdip array
|
2021-09-09 17:22:09 -05:00 |
|
|
|
4e346c2de6
|
Refactored neighbor list builds and per-atom reallocation parts
|
2021-09-07 13:05:57 -05:00 |
|
|
|
785a794d39
|
Added and renamed API to make room for additional kernels (udirect2b only computes the field and fieldp, not accumulating forces, energies, nor virials)
|
2021-09-01 14:37:11 -05:00 |
|
|
|
07b60827c4
|
Working on the udirect2b kernel for the induce real space term, need to add the API for the GPU library
|
2021-09-01 12:30:41 -05:00 |
|
|
|
3825fee8e9
|
Added work on amoeba/gpu, some minor changes to PairAmoeba to allow function overriding in PairAmoebaGPU, added the package AMOEBA to cmake/CMakeLists.txt
|
2021-08-25 22:57:37 -05:00 |
|
