// =========================================================================
Pruning_table_ms_xx::
Pruning_table_ms_xx(Transform_table *tr, Turn_table *tn, int e1):
e1(e1)
// -------------------------------------------------------------------------
{
int n, d, mx = 0;
int ms, t;
unsigned int sm = 0;
Pack_mse pms(e1);
int Nms = pms.len();
int Sms = pms.startlen();
for (ms = 0; ms < Nms; ms++)
a[ms] = BIG;
for (t = 0; t < A_N_TW; t++)
if (mx < tn->a_len(t))
mx = tn->a_len(t);
fprintf(stderr, "\n - middle slice edge positions (phase 1, %i goal/s):\n", Sms);
for (ms = 0; ms < Sms; ms++)
a[pms.start(ms)] = 0;
d = 0;
n = Sms;
while (n) {
fprintf(stderr," %2i %8i %10u\n", d, n, sm += n);
n = 0;
d++;
for (ms = 0; ms < Nms; ms++) {
if (d <= a[ms] || d > a[ms] + mx)
continue;
for (t = 0; t < A_N_TW; t++) {
if (d == a[ms] + tn->a_len(t)) {
int nms = tr->se->a_do_m_tw(t, ms);
if (a[nms] > d) {
a[nms] = d;
n++;
}
}
}
}
}
}
bool TrialDMCCorrection::putSpecial(xmlNodePtr cur, QMCHamiltonian& h, ParticleSet& P )
{
FirstHamiltonian = h.startIndex();
nObservables=0;
nValues=0;
resum=100000;
int blockSeries(0);
int blockFreq(0);
OhmmsAttributeSet attrib;
attrib.add(resum,"resum");
attrib.add(blockSeries,"max");
attrib.add(blockFreq,"frequency");
attrib.put(cur);
// app_log()<<" Forward walking block size is "<< blockT<<"*Tau"<<endl;
// P.phLength=0;
bool FIRST=true;
CountIndex = P.addPropertyHistory(1);
P.PropertyHistory[CountIndex][0]=0;
xmlNodePtr tcur = cur->children;
while(tcur != NULL) {
string cname((const char*)tcur->name);
// app_log()<<cname<<endl;
if(cname == "Observable")
{
string tagName("none");
int Hindex(-100);
// int blockSeries(0);
// int blockFreq(0);
OhmmsAttributeSet Tattrib;
Tattrib.add(tagName,"name");
// Tattrib.add(blockSeries,"max");
// Tattrib.add(blockFreq,"frequency");
Tattrib.put(tcur);
int numProps = P.PropertyList.Names.size();
// Hindex = P.PropertyList.add(tagName);
Hindex = h.getObservable(tagName)+NUMPROPERTIES;
if(tagName=="LocalPotential") {
Hindex=LOCALPOTENTIAL ;
tagName="LocPot";
} else if (Hindex==(NUMPROPERTIES-1)){
app_log()<<"Not a valid H element("<<Hindex<<") Valid names are:";
for (int jk=0;jk<h.sizeOfObservables();jk++) app_log()<<" "<<h.getObservableName(jk);
app_log()<<endl;
exit(-1);
}
/*
if ((Hindex==-100)){
app_log()<<" Hamiltonian Element "<<tagName<<" does not exist!! "<<Hindex<<endl;
assert(Hindex>=0);
}*/
Names.push_back(tagName);
Hindices.push_back( Hindex);
app_log()<<" Hamiltonian Element "<<tagName<<" was found at "<< Hindex<<endl;
int numT=blockSeries/blockFreq ;
nObservables+=1;
nValues+=numT;
app_log()<<" "<<numT<<" values will be calculated every "<<blockFreq<<"*tau H^-1"<<endl;
vector<int> pms(3);
pms[0]=blockFreq;
pms[1]=numT;
pms[2]=blockSeries+2;
walkerLengths.push_back(pms);
int maxWsize=blockSeries+2;
int pindx = P.addPropertyHistory(maxWsize);
// summed values.
P.addPropertyHistory(numT);
// number of times accumulated. For resum
Pindices.push_back(pindx);
// app_log()<<"pindex "<<pindx<<endl;
}
tcur = tcur->next;
}
app_log()<<"Total number of observables calculated:"<<nObservables<<endl;
app_log()<<"Total number of values calculated:"<<nValues<<endl;
Values.resize(nValues,0.0);
EValues.resize(nValues,0.0);
FWValues.resize(nValues,0.0);
return true;
}
bool ForwardWalking::putSpecial(xmlNodePtr cur, QMCHamiltonian& h, ParticleSet& P)
{
FirstHamiltonian = h.startIndex();
nObservables=0;
nValues=0;
blockT=1;
// OhmmsAttributeSet attrib;
// attrib.add(blockT,"blockSize");
// attrib.put(cur);
xmlNodePtr tcur = cur->children;
while(tcur != NULL) {
string cname((const char*)tcur->name);
if(cname == "Observable")
{
string tagName("none");
int Hindex(-100);
int blockSeries(0);
int blockFreq(0);
OhmmsAttributeSet Tattrib;
Tattrib.add(tagName,"name");
Tattrib.add(blockSeries,"max");
Tattrib.add(blockFreq,"frequency");
Tattrib.put(tcur);
if (tagName.find("*")==string::npos)
{
//Single Observable case
int numProps = P.PropertyList.Names.size();
Hindex = h.getObservable(tagName)+NUMPROPERTIES;
if(tagName=="LocalPotential") {
Hindex=LOCALPOTENTIAL ;
tagName="LocPot";
}
else if(tagName=="LocalEnergy") {
Hindex=LOCALENERGY ;
tagName="LocEn";
}
else if (Hindex==(NUMPROPERTIES-1)){
app_log()<<"Not a valid H element("<<Hindex<<") Valid names are:";
for (int jk=0;jk<h.sizeOfObservables();jk++) app_log()<<" "<<h.getObservableName(jk);
app_log()<<endl;
exit(-1);
}
Names.push_back(tagName);
Hindices.push_back( Hindex);
app_log()<<" Hamiltonian Element "<<tagName<<" was found at "<< Hindex<<endl;
int numT=blockSeries/blockFreq ;
nObservables+=1;
nValues+=numT;
app_log()<<" "<<numT<<" values will be calculated every "<<blockFreq<<"*tau H^-1"<<endl;
vector<int> pms(3);
pms[0]=blockFreq;
pms[1]=numT;
pms[2]=blockSeries+2;
walkerLengths.push_back(pms);
int maxWsize=blockSeries+2;
int pindx = P.addPropertyHistory(maxWsize);
// summed values.
// P.addPropertyHistory(numT);
Pindices.push_back(pindx);
}
else
{
bool FOUNDH(false);
// Multiple observables for this tag
int found=tagName.rfind("*");
tagName.replace (found,1,"");
int numProps = P.PropertyList.Names.size();
for(int j=0;j<h.sizeOfObservables();j++)
{
string Hname = h.getObservableName(j);
if (Hname.find(tagName) != string::npos)
{
// vector<int> Parameters;
// if(blockSeries==0)
// putContent(Parameters,tcur);
// else
// for( int pl=blockFreq;pl<=blockSeries;pl+=blockFreq) Parameters.push_back(pl);
FOUNDH=true;
app_log()<<" Hamiltonian Element "<<Hname<<" was found at "<< j<<endl;
Names.push_back(Hname);
Hindex = j+NUMPROPERTIES;
Hindices.push_back( Hindex);
int numT=blockSeries/blockFreq ;
nObservables+=1;
nValues+=numT;
app_log()<<" "<<numT<<" values will be calculated every "<<blockFreq<<"*tau H^-1"<<endl;
vector<int> pms(3);
pms[0]=blockFreq;
pms[1]=numT;
pms[2]=blockSeries+2;
walkerLengths.push_back(pms);
int maxWsize=blockSeries+2;
int pindx = P.addPropertyHistory(maxWsize);
Pindices.push_back(pindx);
}
}
//handle FOUNDH
if (FOUNDH)
{
nObservables+=1;
}
else
{
app_log()<<"Not a valid H element("<<Hindex<<") Valid names are:";
for (int jk=0;jk<h.sizeOfObservables();jk++) app_log()<<" "<<h.getObservableName(jk);
app_log()<<endl;
APP_ABORT("ForwardWalking::put");
}
}
}
tcur = tcur->next;
}
app_log()<<"Total number of observables calculated:"<<nObservables<<endl;
app_log()<<"Total number of values calculated:"<<nValues<<endl;
Values.resize(nValues);
return true;
}
