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@13510 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2015-07-02 14:26:05 +00:00
parent 38af3b0ffb
commit 050244f229
4 changed files with 24 additions and 4 deletions
Download Patch File Download Diff File Expand all files Collapse all files

10
src/write_restart.cpp
View File

@ -59,7 +59,7 @@ enum{VERSION,SMALLINT,TAGINT,BIGINT,
SPECIAL_LJ,SPECIAL_COUL,
MASS,PAIR,BOND,ANGLE,DIHEDRAL,IMPROPER,
MULTIPROC,MPIIO,PROCSPERFILE,PERPROC,
IMAGEINT};
IMAGEINT,BOUNDMIN};
enum{IGNORE,WARN,ERROR}; // same as thermo.cpp
@ -454,6 +454,14 @@ void WriteRestart::header()
write_int(ZPERIODIC,domain->zperiodic);
write_int_vec(BOUNDARY,6,&domain->boundary[0][0]);
// added field for shrink-wrap boundaries with minimum - 2 Jul 2015
double minbound[6];
minbound[0] = domain->minxlo; minbound[1] = domain->minxhi;
minbound[2] = domain->minylo; minbound[3] = domain->minyhi;
minbound[4] = domain->minzlo; minbound[5] = domain->minzhi;
write_double_vec(BOUNDMIN,6,minbound);
// write atom_style and its args
write_string(ATOM_STYLE,atom->atom_style);