/tip4pew

parallelized c++ MD code for the tip4p-ew water model

Primary LanguageC++GNU General Public License v3.0GPL-3.0

tip4pew

parallelized c++ MD code for the tip4p-ew water model

Old versions saved in BACKUPS (old datastructures and kwald loops.)

NVE version is in NVE_code.dir

NVT version is in NVT_code.dir

CVS version kept in parallelcpp to update

CVS help kept in mpitutorial

Timing code in Timer

Rajesh's fortran code for Tip4p-Ew + NALMA/NAGMA, parallelized is in FORTRAN