ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8016 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2012-04-12 22:32:17 +00:00
parent b82dc33475
commit e4974ae9af
18 changed files with 127 additions and 43 deletions
Download Patch File Download Diff File Expand all files Collapse all files

15
src/integrate.cpp
View File

@ -14,6 +14,9 @@
#include "stdlib.h"
#include "integrate.h"
#include "update.h"
#include "force.h"
#include "pair.h"
#include "kspace.h"
#include "modify.h"
#include "compute.h"
@ -38,6 +41,18 @@ Integrate::~Integrate()
delete [] vlist_atom;
}
/* ---------------------------------------------------------------------- */
void Integrate::init()
{
// allow pair and Kspace compute() to be turned off via modify flags
if (force->pair && force->pair->compute_flag) pair_compute_flag = 1;
else pair_compute_flag = 0;
if (force->kspace && force->kspace->compute_flag) kspace_compute_flag = 1;
else kspace_compute_flag = 0;
}
/* ----------------------------------------------------------------------
setup lists of computes for global and per-atom PE and pressure
------------------------------------------------------------------------- */