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

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.

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

CommitAuthorDetailsCommitted
ef05a24f8773Axel Kohlmeyer
port optimizations from pair style lj/sf/dipole/sf to lj/sf/dipole/sf/omp 
Jul 27 2016
6fd5b9b3ddf8Axel Kohlmeyer
Merge branch 'optimised_pair_lj' of https://github.com/ibethune/lammps into… 
Jul 27 2016
46f034d1a8a4Iain Bethune
Added back in denom_lj variable, which is used by some subclasses in other… 
Jul 27 2016
9670f5dedf68Iain Bethune
Remove the long_14* files, not relevant for this feature branch 
Jul 27 2016
b928f98006d1Iain Bethune
Added optimised pair_lj_* code from master 
Jul 26 2016