{
/* Describing the test uniquely in case it fails */
- SCOPED_TRACE(formatString(
- "Testing %s on %s for PME grid size %d %d %d"
- ", order %d, %zu atoms",
- option.second.c_str(), pmeTestHardwareContext->description().c_str(),
- gridSize[XX], gridSize[YY], gridSize[ZZ], pmeOrder, atomCount));
+ SCOPED_TRACE(
+ formatString("Testing %s on %s for PME grid size %d %d %d"
+ ", order %d, %zu atoms",
+ option.second.c_str(),
+ pmeTestHardwareContext->description().c_str(),
+ gridSize[XX],
+ gridSize[YY],
+ gridSize[ZZ],
+ pmeOrder,
+ atomCount));
/* Running the test */
- PmeSafePointer pmeSafe =
- pmeInitWrapper(&inputRec, codePath, pmeTestHardwareContext->deviceContext(),
- pmeTestHardwareContext->deviceStream(),
- pmeTestHardwareContext->pmeGpuProgram(), box);
+ PmeSafePointer pmeSafe = pmeInitWrapper(&inputRec,
+ codePath,
+ pmeTestHardwareContext->deviceContext(),
+ pmeTestHardwareContext->deviceStream(),
+ pmeTestHardwareContext->pmeGpuProgram(),
+ box);
std::unique_ptr<StatePropagatorDataGpu> stateGpu =
(codePath == CodePath::GPU)
? makeStatePropagatorDataGpu(*pmeSafe.get(),
{
auto splineValuesDim =
pmeGetSplineData(pmeSafe.get(), codePath, PmeSplineDataType::Values, i);
- splineValuesChecker.checkSequence(splineValuesDim.begin(),
- splineValuesDim.end(), dimString[i]);
+ splineValuesChecker.checkSequence(
+ splineValuesDim.begin(), splineValuesDim.end(), dimString[i]);
}
/* Spline derivatives */
/* Particle gridline indices */
auto gridLineIndices = pmeGetGridlineIndices(pmeSafe.get(), codePath);
- rootChecker.checkSequence(gridLineIndices.begin(), gridLineIndices.end(),
- "Gridline indices");
+ rootChecker.checkSequence(
+ gridLineIndices.begin(), gridLineIndices.end(), "Gridline indices");
}
if (spreadCharges)
//! Random coordinate vectors
CoordinatesVector const c_sampleCoordinatesFull{ { 5.59F, 1.37F, 0.95F },
{
- 16.0F, 1.02F, 0.22F // 2 box lengths in x
+ 16.0F,
+ 1.02F,
+ 0.22F // 2 box lengths in x
},
{ 0.034F, 1.65F, 0.22F },
{ 0.33F, 0.92F, 1.56F },
{ 1.16F, 0.75F, 0.39F },
{ 0.5F, 1.63F, 1.14F },
{
- 16.0001F, 1.52F, 1.19F // > 2 box lengths in x
+ 16.0001F,
+ 1.52F,
+ 1.19F // > 2 box lengths in x
},
{
- 1.43F, 1.1F, 4.1F // > 2 box lengths in z
+ 1.43F,
+ 1.1F,
+ 4.1F // > 2 box lengths in z
},
{
- -1.08F, 1.19F, 0.08F // negative x
+ -1.08F,
+ 1.19F,
+ 0.08F // negative x
},
{ 1.6F, 0.93F, 0.53F },
{
- 1.32F, -1.48F, 0.16F // negative y
+ 1.32F,
+ -1.48F,
+ 0.16F // negative y
},
{ 0.87F, 0.0F, 0.33F },
{
- 0.95F, 7.7F, -0.48F // > 2 box lengths in y, negative z
+ 0.95F,
+ 7.7F,
+ -0.48F // > 2 box lengths in y, negative z
},
{ 1.23F, 0.91F, 0.68F },
{ 0.19F, 1.45F, 0.94F },