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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11978 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-05-13 15:23:13 +00:00
parent d17e06c479
commit 6c06a66ae7
25 changed files with 512 additions and 2004 deletions
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14
src/KSPACE/pppm.cpp
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@ -27,7 +27,7 @@
#include "pppm.h"
#include "atom.h"
#include "comm.h"
#include "commgrid.h"
#include "gridcomm.h"
#include "neighbor.h"
#include "force.h"
#include "pair.h"
@ -272,7 +272,7 @@ void PPPM::init()
int (*procneigh)[2] = comm->procneigh;
CommGrid *cgtmp = NULL;
GridComm *cgtmp = NULL;
int iteration = 0;
while (order >= minorder) {
@ -285,7 +285,7 @@ void PPPM::init()
set_grid_local();
if (overlap_allowed) break;
cgtmp = new CommGrid(lmp,world,1,1,
cgtmp = new GridComm(lmp,world,1,1,
nxlo_in,nxhi_in,nylo_in,nyhi_in,nzlo_in,nzhi_in,
nxlo_out,nxhi_out,nylo_out,nyhi_out,nzlo_out,nzhi_out,
procneigh[0][0],procneigh[0][1],procneigh[1][0],
@ -805,13 +805,13 @@ void PPPM::allocate()
int (*procneigh)[2] = comm->procneigh;
if (differentiation_flag == 1)
cg = new CommGrid(lmp,world,1,1,
cg = new GridComm(lmp,world,1,1,
nxlo_in,nxhi_in,nylo_in,nyhi_in,nzlo_in,nzhi_in,
nxlo_out,nxhi_out,nylo_out,nyhi_out,nzlo_out,nzhi_out,
procneigh[0][0],procneigh[0][1],procneigh[1][0],
procneigh[1][1],procneigh[2][0],procneigh[2][1]);
else
cg = new CommGrid(lmp,world,3,1,
cg = new GridComm(lmp,world,3,1,
nxlo_in,nxhi_in,nylo_in,nyhi_in,nzlo_in,nzhi_in,
nxlo_out,nxhi_out,nylo_out,nyhi_out,nzlo_out,nzhi_out,
procneigh[0][0],procneigh[0][1],procneigh[1][0],
@ -901,14 +901,14 @@ void PPPM::allocate_peratom()
if (differentiation_flag == 1)
cg_peratom =
new CommGrid(lmp,world,6,1,
new GridComm(lmp,world,6,1,
nxlo_in,nxhi_in,nylo_in,nyhi_in,nzlo_in,nzhi_in,
nxlo_out,nxhi_out,nylo_out,nyhi_out,nzlo_out,nzhi_out,
procneigh[0][0],procneigh[0][1],procneigh[1][0],
procneigh[1][1],procneigh[2][0],procneigh[2][1]);
else
cg_peratom =
new CommGrid(lmp,world,7,1,
new GridComm(lmp,world,7,1,
nxlo_in,nxhi_in,nylo_in,nyhi_in,nzlo_in,nzhi_in,
nxlo_out,nxhi_out,nylo_out,nyhi_out,nzlo_out,nzhi_out,
procneigh[0][0],procneigh[0][1],procneigh[1][0],