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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15250 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-07-01 23:31:09 +00:00
parent a99c922a14
commit 88812c44fb
9 changed files with 40 additions and 6 deletions
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15
src/thermo.cpp
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@ -55,7 +55,7 @@ using namespace MathConst;
// customize a new keyword by adding to this list:
// step, elapsed, elaplong, dt, time, cpu, tpcpu, spcpu, cpuremain, part
// step, elapsed, elaplong, dt, time, cpu, tpcpu, spcpu, cpuremain, part, timeremain
// atoms, temp, press, pe, ke, etotal, enthalpy
// evdwl, ecoul, epair, ebond, eangle, edihed, eimp, emol, elong, etail
// vol, density, lx, ly, lz, xlo, xhi, ylo, yhi, zlo, zhi, xy, xz, yz,
@ -672,6 +672,8 @@ void Thermo::parse_fields(char *str)
addfield("CPULeft",&Thermo::compute_cpuremain,FLOAT);
} else if (strcmp(word,"part") == 0) {
addfield("Part",&Thermo::compute_part,INT);
} else if (strcmp(word,"timeremain") == 0) {
addfield("TimeoutLeft",&Thermo::compute_timeremain,FLOAT);
} else if (strcmp(word,"atoms") == 0) {
addfield("Atoms",&Thermo::compute_atoms,BIGINT);
@ -1069,6 +1071,10 @@ int Thermo::evaluate_keyword(char *word, double *answer)
compute_part();
dvalue = ivalue;
} else if (strcmp(word,"timeremain") == 0) {
compute_timeremain();
} else if (strcmp(word,"atoms") == 0) {
compute_atoms();
dvalue = bivalue;
@ -1598,6 +1604,13 @@ void Thermo::compute_part()
/* ---------------------------------------------------------------------- */
void Thermo::compute_timeremain()
{
dvalue = timer->get_timeout_remain();
}
/* ---------------------------------------------------------------------- */
void Thermo::compute_atoms()
{
bivalue = atom->natoms;