66ddcd86a3
USER-INTEL: Explictly disabling G2S opts to improve lj/cut, eam, and dpd performance. Removing -fno-alias flag from Makefiles due to issues with 2019 compilers and adding explicit _noalias qualifier for some variables to compensate.
2019-09-17 02:50:37 -07:00
61483da58b
error out when per-atom stress is requested
2019-03-28 12:25:40 -04:00
06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
1c795a6be3
remove trailing blanks
2018-12-01 21:38:22 -05:00
c37deebffa
Adding full hybrid support to USER-INTEL package and fixing bug with EAM parameter initialization.
2018-10-11 05:12:00 -07:00
2fe0eabc09
Intel Package: Bug fix when using LRT with minimize. Bug fix for virial calculation when using GNU compilers. Most of framework for adding hybrid support is now in place.
2018-06-22 01:52:55 -07:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
bb141aaae0
USER-INTEL: Bug fix for case where a bond/angle/dihedral/improper style is specified, but there are no bond/... types and therefore no allocation.
2017-10-16 22:51:56 -07:00
2a24cbfe0c
reverse logic for using MKL pRNG: this way, make serial and make mpi will compile LAMMPS with USER-INTEL installed
2017-10-02 21:13:51 -04:00
cf24dd0265
Adding pair style dpd/intel and dihedral style fourier/intel
...
Adding raw performance numbers for Skylake xeon server.
Fixes for using older Intel compilers and compiling without OpenMP.
Fix adding in hooks for using USER-INTEL w/ minimization.
2017-10-02 04:53:17 -07:00
