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fixed isnan error

This commit is contained in:
Steven Strong 2019-04-18 10:11:00 -05:00
parent 4c565db9af
commit 941281e9e9
1 changed files with 9 additions and 8 deletions
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17
src/USER-MISC/pair_e3b.cpp
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@ -528,8 +528,9 @@ void PairE3B::presetParam(const int flag,bool &repeatFlag,double &bondL) {
}
repeatFlag=true;
if (!isnan(ea) || !isnan(eb) || !isnan(ec) || !isnan(e2) || bondL!=0.0 ||
!isnan(k3) || !isnan(k2) || rs!=0.0 || rc3!=0.0 || rc2!=0.0 )
if (!std::isnan(ea) || !std::isnan(eb) || !std::isnan(ec) ||
!std::isnan(e2) || !std::isnan(k3) || !std::isnan(k2) ||
bondL!=0.0 || rs!=0.0 || rc3!=0.0 || rc2!=0.0 )
error->all(FLERR,"Preset keyword will overwrite another keyword setting");
double econv,lconv;
@ -658,17 +659,17 @@ void PairE3B::checkInputs(const double &bondL) {
error->all(FLERR,"Rc3 keyword missing");
if (bondL==0.0)
error->all(FLERR,"bondL keyword missing");
if (isnan(ea))
if (std::isnan(ea))
error->all(FLERR,"Ea keyword missing");
if (isnan(eb))
if (std::isnan(eb))
error->all(FLERR,"Eb keyword missing");
if (isnan(ec))
if (std::isnan(ec))
error->all(FLERR,"Ec keyword missing");
if (isnan(k3))
if (std::isnan(k3))
error->all(FLERR,"K3 keyword missing");
if (isnan(e2))
if (std::isnan(e2))
error->all(FLERR,"E2 keyword missing");
if (isnan(k2))
if (std::isnan(k2))
error->all(FLERR,"K2 keyword missing");
//now test that values are within acceptable ranges