| commit | d20a5d36fa43a245905daead43cb7e71d6b3d1ae | |
| author | Aleksei Iupinov <a.yupinov@gmail.com> | |
| Thu, 29 Dec 2016 23:21:59 +0000 (30 00:21 +0100) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Wed, 8 Feb 2017 15:16:05 +0000 (8 16:16 +0100) | ||
| tree | 47751d72ef291f460ba41cd610534adcd5d28bce | treesnapshot (tar.gz zip) |
| parent | 3f99d35024eb88e7daa55403df57e2bad25a33cb | commitdiff |
PME force gathering tests
Unit tests for PME force gathering on CPU.
Test 2 grid sizes, PME orders from 3 to 5, normal and triclinic boxes,
configurations of 1, 2 and 13 atoms, with and without input forces reduction.
Forces gathered from the grid are tested as outputs.
Change-Id: I1b624e0019f2c8401084db5af4dab7c0efc932fb
Unit tests for PME force gathering on CPU.
Test 2 grid sizes, PME orders from 3 to 5, normal and triclinic boxes,
configurations of 1, 2 and 13 atoms, with and without input forces reduction.
Forces gathered from the grid are tested as outputs.
Change-Id: I1b624e0019f2c8401084db5af4dab7c0efc932fb
148 files changed: