Merge branch 'merge-pull-124' into lammps-icms
f0d1800734ed
Actions

Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Jul 27 2016, 13:59.

Description

Merge branch 'merge-pull-124' into lammps-icms

From Iain Bethune at EPCC in Edinborough:

Some small optimisations to the pair_lj_charmm_coul compute() functions,
principally storing reciprocal values to avoid excessive floating point
divisions. In my tests (for a system dominated by these pair
interactions), it gave a 4% speedup.

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Jul 27 2016, 13:59

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPSef05a24f8773: port optimizations from pair style lj/sf/dipole/sf to lj/sf/dipole/sf/omp
rLAMMPS80ef98f8ffa0: Merge branch 'merge-pull-122' into lammps-icms

Branches

Unknown

Tags

Unknown

Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPSf0d1800734ed: Merge branch 'merge-pull-124' into lammps-icms (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Jul 27 2016, 13:59

Merged Changes

Commit	Author	Details	Committed
ef05a24f8773	Axel Kohlmeyer	port optimizations from pair style lj/sf/dipole/sf to lj/sf/dipole/sf/omp	Jul 27 2016
6fd5b9b3ddf8	Axel Kohlmeyer	Merge branch 'optimised_pair_lj' of https://github.com/ibethune/lammps into…	Jul 27 2016
46f034d1a8a4	Iain Bethune	Added back in denom_lj variable, which is used by some subclasses in other…	Jul 27 2016
9670f5dedf68	Iain Bethune	Remove the long_14* files, not relevant for this feature branch	Jul 27 2016
b928f98006d1	Iain Bethune	Added optimised pair_lj_* code from master	Jul 26 2016

Changes (5)

				Path
	M			src/KSPACE/pair_lj_charmm_coul_long.cpp
	M			src/KSPACE/pair_lj_charmm_coul_long.h
	M			src/KSPACE/pair_lj_charmm_coul_msm.cpp
	M			src/USER-MISC/pair_lj_sf_dipole_sf.cpp
	M			src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp