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@4442 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2010-08-05 23:19:26 +00:00
parent 5ca111b283
commit 6173fcaaab
6 changed files with 198 additions and 60 deletions
Download Patch File Download Diff File Expand all files Collapse all files

23
src/dump_dcd.cpp
View File

@ -90,20 +90,17 @@ DumpDCD::~DumpDCD()
void DumpDCD::init()
{
// check that dump frequency has not changed
// check that dump frequency has not changed and is not a variable
if (nevery_save == 0) {
int idump;
for (idump = 0; idump < output->ndump; idump++)
if (strcmp(id,output->dump[idump]->id) == 0) break;
nevery_save = output->dump_every[idump];
} else {
int idump;
for (idump = 0; idump < output->ndump; idump++)
if (strcmp(id,output->dump[idump]->id) == 0) break;
if (nevery_save != output->dump_every[idump])
error->all("Cannot change dump_modify every for dump dcd");
}
int idump;
for (idump = 0; idump < output->ndump; idump++)
if (strcmp(id,output->dump[idump]->id) == 0) break;
if (output->every_dump[idump] == 0)
error->all("Cannot use variable every setting for dump dcd");
if (nevery_save == 0) nevery_save = output->every_dump[idump];
else if (nevery_save != output->every_dump[idump])
error->all("Cannot change dump_modify every for dump dcd");
}
/* ---------------------------------------------------------------------- */