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This commit is contained in:
W. Michael Brown
2011-06-17 15:40:51 -04:00
parent e7ce7a5a93
commit 2eddcf044a
8 changed files with 72 additions and 90 deletions
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28
lib/gpu/charmm_long_ext.cpp
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@ -1,19 +1,17 @@
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
/***************************************************************************
charmm_long.h
-------------------
W. Michael Brown (ORNL)
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
Functions for LAMMPS access to charmm/coul/long acceleration routines.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing authors: Mike Brown (ORNL), brownw@ornl.gov
------------------------------------------------------------------------- */
__________________________________________________________________________
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
email : brownw@ornl.gov
***************************************************************************/
#include <iostream>
#include <cassert>
@ -23,7 +21,7 @@
using namespace std;
static CRML_GPU_Memory<PRECISION,ACC_PRECISION> CRMLMF;
static CHARMMLong<PRECISION,ACC_PRECISION> CRMLMF;
// ---------------------------------------------------------------------------
// Allocate memory on host and device and copy constants to device