// This is slightly different from nbnxn_get_atom_range(...) at the end of the file
// TODO: Combine if possible
static void getAtomRanges(const Nbnxm::GridSet &gridSet,
- const Nbnxm::AtomLocality locality,
+ const gmx::AtomLocality locality,
int *gridBegin,
int *gridEnd)
{
switch (locality)
{
- case Nbnxm::AtomLocality::All:
+ case gmx::AtomLocality::All:
*gridBegin = 0;
*gridEnd = gridSet.grids().size();
break;
- case Nbnxm::AtomLocality::Local:
+ case gmx::AtomLocality::Local:
*gridBegin = 0;
*gridEnd = 1;
break;
- case Nbnxm::AtomLocality::NonLocal:
+ case gmx::AtomLocality::NonLocal:
*gridBegin = 1;
*gridEnd = gridSet.grids().size();
break;
- case Nbnxm::AtomLocality::Count:
+ case gmx::AtomLocality::Count:
GMX_ASSERT(false, "Count is invalid locality specifier");
break;
}
/* Copies (and reorders) the coordinates to nbnxn_atomdata_t */
void nbnxn_atomdata_copy_x_to_nbat_x(const Nbnxm::GridSet &gridSet,
- const Nbnxm::AtomLocality locality,
+ const gmx::AtomLocality locality,
bool fillLocal,
const rvec *coordinates,
nbnxn_atomdata_t *nbat)
/* Copies (and reorders) the coordinates to nbnxn_atomdata_t on the GPU*/
void nbnxn_atomdata_x_to_nbat_x_gpu(const Nbnxm::GridSet &gridSet,
- const Nbnxm::AtomLocality locality,
+ const gmx::AtomLocality locality,
bool fillLocal,
gmx_nbnxn_gpu_t *gpu_nbv,
DeviceBuffer<float> d_x,
/* Add the force array(s) from nbnxn_atomdata_t to f */
void reduceForces(nbnxn_atomdata_t *nbat,
- const Nbnxm::AtomLocality locality,
+ const gmx::AtomLocality locality,
const Nbnxm::GridSet &gridSet,
rvec *f)
{
if (nbat->out.size() > 1)
{
- if (locality != Nbnxm::AtomLocality::All)
+ if (locality != gmx::AtomLocality::All)
{
gmx_incons("add_f_to_f called with nout>1 and locality!=eatAll");
}
}
/* Add the force array(s) from nbnxn_atomdata_t to f */
-void reduceForcesGpu(const Nbnxm::AtomLocality locality,
+void reduceForcesGpu(const gmx::AtomLocality locality,
DeviceBuffer<float> totalForcesDevice,
const Nbnxm::GridSet &gridSet,
void *pmeForcesDevice,
}
}
-void nbnxn_get_atom_range(const Nbnxm::AtomLocality atomLocality,
+void nbnxn_get_atom_range(const gmx::AtomLocality atomLocality,
const Nbnxm::GridSet &gridSet,
int *atomStart,
int *nAtoms)
switch (atomLocality)
{
- case Nbnxm::AtomLocality::All:
+ case gmx::AtomLocality::All:
*atomStart = 0;
*nAtoms = gridSet.numRealAtomsTotal();
break;
- case Nbnxm::AtomLocality::Local:
+ case gmx::AtomLocality::Local:
*atomStart = 0;
*nAtoms = gridSet.numRealAtomsLocal();
break;
- case Nbnxm::AtomLocality::NonLocal:
+ case gmx::AtomLocality::NonLocal:
*atomStart = gridSet.numRealAtomsLocal();
*nAtoms = gridSet.numRealAtomsTotal() - gridSet.numRealAtomsLocal();
break;
- case Nbnxm::AtomLocality::Count:
+ case gmx::AtomLocality::Count:
GMX_ASSERT(false, "Count is invalid locality specifier");
break;
}