ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/OOPSE/libmdtools/SimInfo.cpp
(Generate patch)

Comparing trunk/OOPSE/libmdtools/SimInfo.cpp (file contents):
Revision 1118 by tim, Mon Apr 19 03:52:27 2004 UTC vs.
Revision 1139 by gezelter, Wed Apr 28 22:06:29 2004 UTC

# Line 63 | Line 63 | SimInfo::SimInfo(){
63    useReactionField = 0;
64    useGB = 0;
65    useEAM = 0;
66 +  useMolecularCutoffs = 0;
67  
68    excludes = Exclude::Instance();
69  
# Line 436 | Line 437 | void SimInfo::refreshSim(){
437    //fInfo.SIM_uses_RF = 0;
438    fInfo.SIM_uses_GB = useGB;
439    fInfo.SIM_uses_EAM = useEAM;
440 +  fInfo.SIM_uses_molecular_cutoffs = useMolecularCutoffs;
441  
442    n_exclude = excludes->getSize();
443    excl = excludes->getFortranArray();
# Line 510 | Line 512 | void SimInfo::checkCutOffs( void ){
512                 "\tCurrent Value of LJrcut = %G at time %G\n "
513                 "\tThis is larger than half of at least one of the\n"
514                 "\tperiodic box vectors.  Right now, the Box matrix is:\n"
515 <               "\n, %G"
515 >               "\n"
516                 "\t[ %G %G %G ]\n"
517                 "\t[ %G %G %G ]\n"
518                 "\t[ %G %G %G ]\n",
519 <               rCut, currentTime, maxCutoff,
519 >               rCut, currentTime,
520                 Hmat[0][0], Hmat[0][1], Hmat[0][2],
521                 Hmat[1][0], Hmat[1][1], Hmat[1][2],
522                 Hmat[2][0], Hmat[2][1], Hmat[2][2]);

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines