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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2015-08-28 20:00:56 +00:00
parent 962dd0da74
commit ce59e32d1c
189 changed files with 1526 additions and 587 deletions
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14
src/thermo.cpp
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@ -46,6 +46,9 @@
#include "math_const.h"
#include "memory.h"
#include "error.h"
#include "universe.h"
#include "math_const.h"
using namespace LAMMPS_NS;
using namespace MathConst;
@ -335,7 +338,7 @@ void Thermo::compute(int flag)
int loc = 0;
if (lineflag == MULTILINE) {
double cpu;
if (flag) cpu = timer->elapsed(TIME_LOOP);
if (flag) cpu = timer->elapsed(Timer::TOTAL);
else cpu = 0.0;
loc = sprintf(&line[loc],format_multi,ntimestep,cpu);
}
@ -1520,7 +1523,7 @@ void Thermo::compute_time()
void Thermo::compute_cpu()
{
if (firststep == 0) dvalue = 0.0;
else dvalue = timer->elapsed(TIME_LOOP);
else dvalue = timer->elapsed(Timer::TOTAL);
}
/* ---------------------------------------------------------------------- */
@ -1534,7 +1537,7 @@ void Thermo::compute_tpcpu()
new_cpu = 0.0;
dvalue = 0.0;
} else {
new_cpu = timer->elapsed(TIME_LOOP);
new_cpu = timer->elapsed(Timer::TOTAL);
double cpu_diff = new_cpu - last_tpcpu;
double time_diff = new_time - last_time;
if (time_diff > 0.0 && cpu_diff > 0.0) dvalue = time_diff/cpu_diff;
@ -1556,7 +1559,7 @@ void Thermo::compute_spcpu()
new_cpu = 0.0;
dvalue = 0.0;
} else {
new_cpu = timer->elapsed(TIME_LOOP);
new_cpu = timer->elapsed(Timer::TOTAL);
double cpu_diff = new_cpu - last_spcpu;
int step_diff = new_step - last_step;
if (cpu_diff > 0.0) dvalue = step_diff/cpu_diff;
@ -1572,7 +1575,7 @@ void Thermo::compute_spcpu()
void Thermo::compute_cpuremain()
{
if (firststep == 0) dvalue = 0.0;
else dvalue = timer->elapsed(TIME_LOOP) *
else dvalue = timer->elapsed(Timer::TOTAL) *
(update->laststep - update->ntimestep) /
(update->ntimestep - update->firststep);
}
@ -2093,3 +2096,4 @@ void Thermo::compute_cellgamma()
dvalue = acos(cosgamma)*180.0/MY_PI;
}
}