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Cosmetic changes and cleanup

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This commit is contained in:
Trung Nguyen
2022-09-30 17:32:25 -05:00
parent 1d75ca3b20
commit 9a1f23a079
3 changed files with 44 additions and 77 deletions
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10
lib/gpu/lal_amoeba.cpp
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@ -185,7 +185,7 @@ int AmoebaT::multipole_real(const int eflag, const int vflag) {
}
// ---------------------------------------------------------------------------
// Calculate the real-space permanent field, returning field and fieldp
// Launch the real-space permanent field kernel
// ---------------------------------------------------------------------------
template <class numtyp, class acctyp>
int AmoebaT::udirect2b(const int eflag, const int vflag) {
@ -202,7 +202,9 @@ int AmoebaT::udirect2b(const int eflag, const int vflag) {
(BX/this->_threads_per_atom)));
this->time_pair.start();
// Build the short neighbor list if not done yet
// Build the short neighbor list for the cutoff _off2_polar, if not done yet
// this is the first kernel in a time step where _off2_polar is used
if (!this->short_nbor_polar_avail) {
this->k_short_nbor.set_size(GX,BX);
this->k_short_nbor.run(&this->atom->x, &this->nbor->dev_nbor,
@ -225,7 +227,7 @@ int AmoebaT::udirect2b(const int eflag, const int vflag) {
}
// ---------------------------------------------------------------------------
// Calculate the real-space induced field, returning field and fieldp
// Launch the real-space induced field kernel, returning field and fieldp
// ---------------------------------------------------------------------------
template <class numtyp, class acctyp>
int AmoebaT::umutual2b(const int eflag, const int vflag) {
@ -264,7 +266,7 @@ int AmoebaT::umutual2b(const int eflag, const int vflag) {
}
// ---------------------------------------------------------------------------
// Calculate the polar real-space term, returning tep
// Launch the polar real-space kernel, returning tep
// ---------------------------------------------------------------------------
template <class numtyp, class acctyp>
int AmoebaT::polar_real(const int eflag, const int vflag) {