| commit | f7be07e3cc901eb03700d93248fc09b573370282 | |
| author | Magnus Lundborg <magnus.lundborg@scilifelab.se> | |
| Mon, 20 Jul 2020 10:17:02 +0000 (20 10:17 +0000) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Mon, 20 Jul 2020 10:17:02 +0000 (20 10:17 +0000) | ||
| tree | 42882c43ac03a194c8f5cc9592d3678880e4b0cf | treesnapshot (tar.gz zip) |
| parent | 15d6779a3d07116950ac65f55ca39fe222831bb7 | commitdiff |
Two sets of coefficients for Coulomb FEP PME on GPU
The first patch in a series to enable running Coulomb FEP PME on GPU.
Use two sets of coefficients to store atom charges.
Refs #2054, #3117
Change-Id: Iab6eb7ac766800f7c045dc5a00069e77509d391f
The first patch in a series to enable running Coulomb FEP PME on GPU.
Use two sets of coefficients to store atom charges.
Refs #2054, #3117
Change-Id: Iab6eb7ac766800f7c045dc5a00069e77509d391f
37 files changed: