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acceleration for pair_style lj/smooth

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This commit is contained in:
Gurgen
2021-03-18 20:48:57 +03:00
parent ca88f97a4b
commit 8d18051232
3 changed files with 26 additions and 34 deletions
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11
lib/gpu/lal_lj_smooth.h
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@ -2,13 +2,10 @@
lj_smooth.h
-------------------
W. Michael Brown (ORNL)
Class for acceleration of the lj/smooth pair style.
__________________________________________________________________________
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
email : brownw@ornl.gov
***************************************************************************/
@ -69,12 +66,12 @@ class LJSMOOTH : public BaseAtomic<numtyp, acctyp> {
/// lj1.x = lj1, lj1.y = lj2, lj1.z = cutsq, lj1.w = cut_inner_sq
UCL_D_Vec<numtyp4> lj1;
/// lj3.x = lj3, lj3.y = lj4, lj3.z = offset, lj3.w = cut_inner
/// lj3.x = lj3, lj3.y = lj4, lj3.z = offset
UCL_D_Vec<numtyp4> lj3;
/// ljsw.x = ljsw1, ljsw.y = ljsw2, ljsw.z = ljsw3, ljsw.w = ljsw4
UCL_D_Vec<numtyp4> ljsw;
/// ljsw0
UCL_D_Vec<numtyp4> ljsw0;
/// ljsw0.x = ljsw0 ljsw0.y = cut_inner
UCL_D_Vec<numtyp2> ljsw0;
/// Special LJ values
UCL_D_Vec<numtyp> sp_lj;
@ -91,4 +88,4 @@ class LJSMOOTH : public BaseAtomic<numtyp, acctyp> {
}
#endif
#endif