Definition at line 62 of file Controller.C.
PressureProfileReduction::PressureProfileReduction |
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int |
rtag, |
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int |
numslabs, |
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int |
numpartitions, |
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const char * |
myname, |
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int |
outputfreq |
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Definition at line 74 of file Controller.C.
References ReductionMgr::Object(), and ReductionMgr::willRequire().
76 : nslabs(numslabs), freq(outputfreq) {
77 name = strdup(myname);
78 nelements = 3*nslabs * numpartitions;
static ReductionMgr * Object(void)
RequireReduction * willRequire(int setID, int size=-1)
int average(CompAtom *qtilde, const HGArrayVector &q, BigReal *lambda, const int n, const int m, const HGArrayBigReal &imass, const HGArrayBigReal &length2, const HGArrayInt &ial, const HGArrayInt &ibl, const HGArrayVector &refab, const BigReal tolf, const int ntrial)
PressureProfileReduction::~PressureProfileReduction |
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inline |
Definition at line 84 of file Controller.C.
int average(CompAtom *qtilde, const HGArrayVector &q, BigReal *lambda, const int n, const int m, const HGArrayBigReal &imass, const HGArrayBigReal &length2, const HGArrayInt &ial, const HGArrayInt &ibl, const HGArrayVector &refab, const BigReal tolf, const int ntrial)
void PressureProfileReduction::getData |
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int |
firsttimestep, |
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int |
step, |
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const Lattice & |
lattice, |
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BigReal * |
total |
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Definition at line 90 of file Controller.C.
References endi(), iout, RequireReduction::item(), PRESSUREFACTOR, RequireReduction::require(), and Lattice::volume().
Referenced by Controller::printEnergies().
95 double inv_volume = 1.0 / lattice.
volume();
97 int arraysize = 3*nslabs;
98 for (i=0; i<nelements; i++) {
101 total[i % arraysize] += val;
104 if (!(step % freq)) {
108 iout <<
"PPROFILE" << name <<
": " << step <<
" ";
109 if (step == firsttimestep) {
111 for (i=0; i<nelements; i++)
112 iout << reduction->
item(i)*scalefac*inv_volume <<
" ";
116 for (i=0; i<nelements; i++)
std::ostream & endi(std::ostream &s)
BigReal volume(void) const
BigReal item(int i) const
int average(CompAtom *qtilde, const HGArrayVector &q, BigReal *lambda, const int n, const int m, const HGArrayBigReal &imass, const HGArrayBigReal &length2, const HGArrayInt &ial, const HGArrayInt &ibl, const HGArrayVector &refab, const BigReal tolf, const int ntrial)
The documentation for this class was generated from the following file: