Use constexpr for physical constants and move them into gmx namespace

[alexxy/gromacs.git] / src / gromacs / ewald / pme_gpu_internal.cpp

diff --git a/src/gromacs/ewald/pme_gpu_internal.cpp b/src/gromacs/ewald/pme_gpu_internal.cpp
index 0d7ee39e234b0e321cfc04c2b8a85f6568dc2edc..028a66a35a9f30df54cdfc40e1628b878b9ae154 100644 (file)
--- a/src/gromacs/ewald/pme_gpu_internal.cpp
+++ b/src/gromacs/ewald/pme_gpu_internal.cpp
@@ -898,7 +898,7 @@ static void pme_gpu_init(gmx_pme_t*           pme,
     GMX_ASSERT(pmeGpu->common->epsilon_r != 0.0F, "PME GPU: bad electrostatic coefficient");
 
     auto* kernelParamsPtr               = pme_gpu_get_kernel_params_base_ptr(pmeGpu);
-    kernelParamsPtr->constants.elFactor = ONE_4PI_EPS0 / pmeGpu->common->epsilon_r;
+    kernelParamsPtr->constants.elFactor = gmx::c_one4PiEps0 / pmeGpu->common->epsilon_r;
 }
 
 void pme_gpu_get_real_grid_sizes(const PmeGpu* pmeGpu, gmx::IVec* gridSize, gmx::IVec* paddedGridSize)