/* Convenience type for vector with aligned memory */
template<typename T>
-using AlignedVector = std::vector < T, gmx::AlignedAllocator < T>>;
+using AlignedVector = std::vector<T, gmx::AlignedAllocator<T>>;
/* Force/energy interpolation tables for Ewald long-range corrections
*
struct EwaldCorrectionTables
{
// 1/table_spacing, units 1/nm
- real scale = 0;
+ real scale = 0;
// Force table
AlignedVector<real> tableF;
// Energy table
*/
struct interaction_const_t
{
- int cutoff_scheme = ecutsVERLET;
+ int cutoff_scheme = ecutsVERLET;
/* VdW */
int vdwtype = evdwCUT;
real buckinghamBMax = 0;
/* type of electrostatics */
- int eeltype = eelCUT;
- int coulomb_modifier = eintmodNONE;
+ int eeltype = eelCUT;
+ int coulomb_modifier = eintmodNONE;
/* Coulomb */
real rcoulomb = 1;