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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5520 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-01-11 00:41:00 +00:00
parent 4bc2d6f332
commit 82ec94916d
79 changed files with 458 additions and 315 deletions
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24
src/output.cpp
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@ -148,7 +148,7 @@ void Output::init()
void Output::setup(int flag)
{
int ntimestep = update->ntimestep;
bigint ntimestep = update->ntimestep;
// perform dump at start of run if current timestep is multiple of every
// and last dump was not on this timestep
@ -239,7 +239,7 @@ void Output::setup(int flag)
do dump/restart before thermo so thermo CPU time will include them
------------------------------------------------------------------------- */
void Output::write(int ntimestep)
void Output::write(bigint ntimestep)
{
// next_dump does not force output on last step of run
// wrap dumps that invoke computes with clear/add
@ -273,7 +273,9 @@ void Output::write(int ntimestep)
char *file = new char[strlen(restart1) + 16];
char *ptr = strchr(restart1,'*');
*ptr = '\0';
sprintf(file,"%s%d%s",restart1,ntimestep,ptr+1);
char fstr[16];
sprintf(fstr,"%%s%s%%s",BIGINT_FORMAT);
sprintf(file,fstr,restart1,ntimestep,ptr+1);
*ptr = '*';
restart->write(file);
delete [] file;
@ -316,7 +318,7 @@ void Output::write(int ntimestep)
force a snapshot to be written for all dumps
------------------------------------------------------------------------- */
void Output::write_dump(int ntimestep)
void Output::write_dump(bigint ntimestep)
{
for (int idump = 0; idump < ndump; idump++) {
dump[idump]->write();
@ -328,13 +330,15 @@ void Output::write_dump(int ntimestep)
force a restart file to be written
------------------------------------------------------------------------- */
void Output::write_restart(int ntimestep)
void Output::write_restart(bigint ntimestep)
{
if (restart_toggle == 0) {
char *file = new char[strlen(restart1) + 16];
char *ptr = strchr(restart1,'*');
*ptr = '\0';
sprintf(file,"%s%d%s",restart1,ntimestep,ptr+1);
char fstr[16];
sprintf(fstr,"%%s%s%%s",BIGINT_FORMAT);
sprintf(file,fstr,restart1,ntimestep,ptr+1);
*ptr = '*';
restart->write(file);
delete [] file;
@ -373,10 +377,10 @@ void Output::add_dump(int narg, char **arg)
memory->srealloc(dump,max_dump*sizeof(Dump *),"output:dump");
every_dump = (int *)
memory->srealloc(every_dump,max_dump*sizeof(int),"output:every_dump");
next_dump = (int *)
memory->srealloc(next_dump,max_dump*sizeof(int),"output:next_dump");
last_dump = (int *)
memory->srealloc(last_dump,max_dump*sizeof(int),"output:last_dump");
next_dump = (bigint *)
memory->srealloc(next_dump,max_dump*sizeof(bigint),"output:next_dump");
last_dump = (bigint *)
memory->srealloc(last_dump,max_dump*sizeof(bigint),"output:last_dump");
var_dump = (char **)
memory->srealloc(var_dump,max_dump*sizeof(char *),"output:var_dump");
ivar_dump = (int *)