biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
| inline |
side by side
Add InteractionDefinitions
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
tests
/
settletestrunners.cu
diff --git
a/src/gromacs/mdlib/tests/settletestrunners.cu
b/src/gromacs/mdlib/tests/settletestrunners.cu
index bbf108350700270d9aa1bc49d845981affc8fa98..a14b47e81952dcf7aff9a3e0b97a21917a12dc05 100644
(file)
--- a/
src/gromacs/mdlib/tests/settletestrunners.cu
+++ b/
src/gromacs/mdlib/tests/settletestrunners.cu
@@
-88,7
+88,7
@@
void applySettleGpu(SettleTestData* testData,
auto settleGpu = std::make_unique<SettleGpu>(testData->mtop_, nullptr);
- settleGpu->set(testData->idef_, testData->mdatoms_);
+ settleGpu->set(
*
testData->idef_, testData->mdatoms_);
PbcAiuc pbcAiuc;
setPbcAiuc(pbc.ndim_ePBC, pbc.box, &pbcAiuc);