void SAstoroidBelt::proces(uint32_t delta, Processor* processor ){
for(list<SAstoroidBeltRoid*>::iterator it = _roids.begin(); it != _roids.end(); it++){
if((*it)->_roid == NULL && (*it)->_counter == 0 ){
SPos temppos(myrandom(_pos.x-_size,_pos.x+_size),myrandom(_pos.y-_size,_pos.y+_size),0);
temppos.grid = world->getGrids().begin()->second;
(*it)->_roid = processor->createAsteroid(temppos, *(*it)->_type, this);
//world->getGrids()[1]->addAstoroid((*it)->_roid);
}else if((*it)->_roid == NULL && (*it)->_counter ){
(*it)->_counter--;
}
}
}
int main()
{
degreedaymethod = 1;
ratio = startratio;
/*----------------------------------------------------------------*/
/*** READ DATA FROM CONTROLING INPUT FILE / INITIALISATION ****/
/*----------------------------------------------------------------*/
input_read(); /*** READ INPUT DATA ***/
degreestart();
startinputdata(); /***OPEN AND READ GRID FILES AND CLIMATE DATA until start***/
checkgridinputdata_ok(); /*check if grid input data ok*/
startoutascii(); /***OPEN ASCII-OUTPUT FILES AND WRITE HEADS***/
startspecificmassbalance(); /*OPEN FILE FOR GLACIER-WIDE SEASONAL MASS BAL, MULTI-YEAR RUNS*/
startarrayreserve(); /*RESERVE STORAGE FOR GRID-ARRAYS*/
glacierrowcol(); /*FIND FIRST, LAST ROW AND COLUMN WHICH IS GLACIERIZED IN DTM*/
readclim(); /*** READ CLIMATE INPUT FIRST ROW = ONE TIME STEP ****/
if((winterbalyes == 1) || (summerbalyes == 1))
areaelevationbelts(); /*number of grid cells per elevation band, for bn profiles*/
if(maxmeltstakes > 0)
startmeltstakes(); /*OUTPUT OF MELT OF SEVERAL LOCATIONS - COMPARISON WITH STAKES*/
if(snowfreeyes == 1) /*OPEN FILE WITH TIME SERIES WITH NUMBER OF SNOWFREE PIXELS PER DAY*/
opensnowfree();
if((datesfromfileyes == 1) && (winterbalyes == 1) && (summerbalyes == 1))
readdatesmassbal(); /*READ DATES OF MASS BAL MEASUREMENTS FOR EACH YEAR*/
if(methodprecipinterpol == 2) /*read precipitation index map once (constant in time)*/
readprecipindexmap(); /*in turbul.c under precipitation*/
if (disyes >= 1) /*DISCHARGE SIMULATION REQUESTED, 1=discharge data, 2=no data*/
startdischarg(); /*INITIALIZE DISCHARGE SIMULATION*/
/*printf("==============ddmethod in detim.c = %d ===================\n",ddmethod);*/
/*=============FOR EVERY TIME STEP ===============================================*/
do {
nsteps += 1; /*number of time steps of period calculated*/
/******* ADJUST BY USER, HOW OFTEN OUTPUT JD-TIME TO SCREEN *******/
if((zeit==24) && (jd/daysscreenoutput == floor((int)jd/daysscreenoutput)))
printf("\n yr= %4.0f jd = %4.2f time =%3.0f number of time steps=%d",year,jd,zeit,nsteps);
/******* TEMPERATURE INTERPOLATION ******/
tempinterpol(); /*** ELEVATION-DEPENDENT AIR TEMP INTERPOLATION ***/
if(do_out_area == 1)
areameannull(); /* SPATIAL MEANS OF MODEL OUTPUT SET TO ZERO */
if(ddmethod > 1) { /*DIRECT RAD NOT NEEDED FOR SIMPLE DEGREE DAY*/
if (directfromfile == 0)
schatten(); /*** CALCULATE SHADE, CORRECTION FACTOR, DIRECT GRIDs ***/
else
readdirect(); /* READ DIRECT RADIATION (slope corrected) FROM FILE */
}
if(methodinisnow == 1) /*NEEDED FOR DISCHARGE CALCULATIONS FOR ANY ddmethod*/
albedoread(); /* OPEN AND READ SPECIFIC ALBEDO FILE IF NEW ONE VALID FOR TIME STEP */
else
whichsurface(); /*VALUE FOR ARRAY surface (SNOW,FIRN,ICE,ROCK) ICE/SNOW DDF AND K-VALUES*/
/*EXTENDED TEMP INDEX METHOD WITH DIRECT RAD AND CLOUD REDUCTION*/
if(ddmethod == 3)
ratioglobal(); /*CALC RATIO OF MEASURED GLOBAL RAD AND CALCULATED DIRECT RAD*/
if(methodprecipinterpol == 3) /*read precipitation grids from file for each time step*/
readprecipfromfile();
/*------- FOR EACH GRID POINT - only for drainage basin grid (DEM 2 defines the area to be computed)--*/
for (i=firstrow; i<=lastrow; i++) /*for all rows with area to be calculated*/
for (j=firstcol[i]; j<=lastcol[i]; j++) { /*for all columns*/
if (griddgmdrain[i][j] != nodata) { /*only for area to be calculated defined by dgmdrain*/
if (griddgmdrain[i][j] != griddgm[i][j]) {
printf("\n\n ERROR elevation in DTM is not the same as in drainage grid\n");
printf(" row %d col %d (function meltmod.c\n\n",i,j);
exit(12);
}
temppos(); /*** copying interpolated temp into positive temp-grid ***/
airpress(); /*** CALCULATION AIR PRESSURE AT GRID POINT ***/
vappress(); /*** CALCULATION VAPOUR PRESSURE FROM REL. HUMIDITY ***/
/*==================================================================*/
switch(ddmethod)
{
case 1:
degreedaymelt(); /*CALCULATING MELT WITH DEGREE DAY*/
break;
case 2:
dd_directmelt(); /*INCLUDING DIRECT RADIATION (J.Glac. 1999)*/
break;
case 3:
dd_directglobal(); /*AS BUT INCLUDING GLOBAL RAD (J.GLAC 1999)*/
break;
default:
printf("\n ERROR: No temperature index method (ddmethod) defined\n");
printf(" ddmethod should be 1, 2 or 3 (printed from detim.c)\n");
exit(20);
}
/*==================================================================*/
ddfcalculation(); /*CALCULATE CORRESPONDING DEGREE DAY MELT/TEMPOS*/
/******* PRECIPITATION *********************/
precipinterpol();
if(methodinisnow == 2) /*run with known initial snow cover*/
snowcoverdegree(); /*snow precip added to snow cover, to find k-values*/
if (griddgmglac[i][j] != nodata) /*only for glacier, no matter if dgmdrain is larger*/
massbalance(); /*compute mass balance in any case, used for areamean output*/
/*** SUMMING UP ALL VALUES OVER AREA - for spatial means ***/
if(do_out_area == 1)
areasum();
} /*endif*/
} /*endfor next grid*/
/***------------------ NEXT GRID CELL--------------------------------------------- ***/
/*WHOLE GRIDS ARE CALCULATED FOR ONE TIME STEP -
NOW CACULATE DISCHARGE AND WRITE TO OUTPUTFILE*/
/********************* DISCHARGE ************************/
if (disyes >= 1) { /*DISCHARGE TO BE CALCULATED, measured file available (1) or not (2)*/
if(onlyglacieryes == 1) /*drainage basin larger than glacier*/
rainoutsideglac(); /*rain from outside put onto the glacier, discharg.c*/
if (disyesopt == 0) /*simulation run*/
discharge(); /*for every grid calculated discharge, sum to melt and sum discharge*/
if (disyesopt == 1) /*optimization run, disyes set to 1 in input.c*/
dischargeopt(); /*calculated discharg, with optimal r2-criterium*/
}
/*** WRITE MODEL RESULTS TO FILE FOR INDIVIDUAL GRIDPOINTS FOR EVERY TIME STEP ***/
if (outgridnumber > 0) /*output file requested by user*/
stationoutput();
/*** WRITE MASS BALANCE FOR SEVERAL LOCATIONS TO ONE FILE ***/
if(maxmeltstakes > 0)
writemeltstakes();
/*** WRITE GRID FILES ***/
switch(do_out) /*** WRITE ENERGY BALANCE GRID-OUTPUT-FILES ***/
{
case 0:
break;
case 1: /*OUTPUT EVERY TIME STEP*/
startwritehour(); /*open output-files for every time step*/
writegridoutput();
break;
case 2: /*OUTPUT ONLY EVERY DAY*/
sumday(); /*sum up values for subdiurnal timesteps*/
if (zeit == 24.0) { /*last hour of day*/
startwriteday(); /*open files for daily means*/
writegridoutput(); /*write grid to output file*/
meandaynull(); /*after writing initialize to zero*/
} /*if*/
break;
case 3: /*OUTPUT ONLY FOR WHOLE PERIOD*/
sumall(); /*sum up values for subdiurnal timesteps*/
break; /*mean for whole period : write at end*/
case 4: /*OUTPUT EVERY DAY AND FOR WHOLE PERIOD*/
sumday(); /*sum up for daily means*/
sumall(); /*sum up for period means*/
/*must be done before writing daily means to files, because
MELT-array will be overwritten by daily mean, discharge must
also be calculated before*/
if (zeit == 24) { /*daily means, write period means at end*/
startwriteday(); /*open files for daily means*/
writegridoutput();
meandaynull(); /*after writing initialize to zero*/
} /*if*/
} /*switch*/
/*CHECK IF SURFACE CONDITIONS OR SNOW COVER FILES SHOULD BE WRITTEN TO OUTPUT*/
/* NO TEMPORAL MEANS POSSIBLE - FOR VALIDATION OF SNOW LINE RETREAT */
writesnoworsurfaceyes();
/* WRITE GRID OF SURFACE CONDITIONS - ONLY FOR MIDNIGHT EVERY daysnow-th DAY */
/* OR FOR SELECTED DAYS SPECIFIED IN input.dat*/
if((surfyes >= 1) && (write2fileyes == 1))
writesurface(); /*open file and write to file*/
if((snowyes >= 1) && (write2fileyes == 1))
writesnowcover(); /*open file and write to file*/
/* WRITE TO TIME SERIES ASCII FILE EVERY MIDNIGHT HOW MANY PIXELS SNOWFREE*/
if((snowfreeyes == 1) && (zeit == 24))
percentsnowfree();
/* WRITE TIME SERIES OF SPATIAL MEAN MODEL RESULTS TO OUTPUT FOR EVERY TIME STEP*/
if (do_out_area == 1)
areameanwrite();
/*write winter/summer/mass balance grids at end of winter/summer*/
if((winterbalyes == 1) || (summerbalyes == 1))
if(zeit == 24)
writemassbalgrid(); /*balance grids are in arrays WINTERBAL, SUMMERBAL*/
/********** Glacier geometry changes updated only once a year at end of summer **********************************/
if((jd == summerjdend) && (retreatyes >= 1) && (zeit == 24) )
{ if( (datesfromfileyes == 0) || ( (datesfromfileyes == 1) && (year == nextyear)))
{ switch(retreatyes)
{ case 1: /*V-A scaling*/
scaling();
break;
case 2: /*Huss et al. 2010, NEW Aug 2015*/
retreat_Huss();
break;
case 3: /*Truessel et al. 2015, JGlac, not implemented yet*/
break;
default:
printf("\n no retreat method defined (retreatyes=%d)\n (Message send from detim.c\n",retreatyes);
exit(20);
} /*end switch*/
} /*if*/
n_retreatyears += 1; /*count number of years retreat is computed*/
} /*if retreat calculation*/
/**********/
/*set snow array to zero at end of melt season for next mass balance year*/
/*to avoid that snow constantly accumulates in accumulation area and therefore*/
/*firn is never exposed; done each year at start of winter*/
if( (methodinisnow == 2) && (snow2zeroeachyearyes == 1) && (jd == (winterjdbeg)) && (zeit == 24) )
initializeglacier2zero_nodatadouble(nrows, ncols, SNOW);
readclim(); /*** READ CLIMATE INPUT NEXT TIME STEP ****/
if(timestep != 24) { /*subdaily timesteps: midnight row is next julian day not to continue with*/
if((jd > (jdend+1)) && (year == yearend))
stoploop = 1;
} else if((jd == jdend+1) && (year == yearend)) /*otherwise last julian day would not be run*/
stoploop = 1;
} while (stoploop != 1);
/*====================== NEXT TIME STEP =======================================*/
/*OUTPUT OF MEAN COMPONENTS OF ENERGY BALANCE FOR WHOLE PERIOD OF CALCULATION*/
if ((do_out == 3) || (do_out == 4)) { /*mean of whole period*/
startwriteall(); /*open files for whole period*/
writegridoutput();
}
/********** WRITE MEAN MASS BALANCE PROFILE TO FILE********************************/
/* only if glacier area is constant*/
if(((winterbalyes == 1) || (summerbalyes == 1)) && (retreatyes = 0))
meanmassbalprofile(); /*mean over all years*/
/******************************************************************/
if (disyes == 1) { /*only if discharge data available*/
r2calc();
r2calcln();
if (disyesopt == 1) /*optimization run*/
write2matriz(); /*write r2 matriz to file*/
}
writeperformance(); /*write model performance (r2 etc) to text-file, added 10/2013*/
closeall(); /* CLOSE FILES, SPEICHERFREIGABE */
writemodelmeaspointbalances(); /*must be after closeall because it opens cummassbal.txt, added 10/2013*/
fclose(outcontrol); /*can not be in closeall.c because used in writemodelmeaspointbalances()*/
outcontrol = NULL;
printf("\n number of calculated grid cells (DEM2) = %d\n",ndrain);
printf(" number of glacier grid cells (DEM3) = %d\n",nglac);
printf(" number of calculated time steps = %d\n",nsteps);
printf(" number of timesteps of discharge data = %d\n",nstepsdis);
if(disyes ==1) {
printf(" Simulated discharge volume (100 000 m3) = %8.2f\n",volumesim);
printf(" Measured discharge volume = %8.2f\n",volumemeas);
}
printf(" Mass balance over entire simulation period (m) = %.3f\n",areamassbalcum/100);
printf("\n output written to %s\n\n",outpath);
printf("********* PROGRAM RUN COMPLETED ************\n\n");
return 0;
}
/*!
*/
void Md_method::run(Program_options & options, ostream & output)
{
output.precision(10);
string logfile=options.runid+".log";
prop.setLog(logfile, log_label);
int natoms=sys->nIons();
Array1 < Array1 <int> > atom_move;
Array1 < Array2 <doublevar> > displace;
//Even numbered displacements are in + direction, odd are in
// - direction
if(natoms==2) {
//For a dimer, assume they are oriented in the z
//direction and only move in that direction.
atom_move.Resize(4);
displace.Resize(4);
int count=0;
for(int at=0; at < natoms; at++) {
for(int s=0; s< 2; s++) {
atom_move(count).Resize(1);
displace(count).Resize(1,3);
atom_move(count)(0)=at;
displace(count)=0;
if(s==0)
displace(count)(0,2)=0.00025;
else
displace(count)(0,2)=-0.00025;
count++;
}
}
}
else {
int ndim=0;
for(int d=0; d< 3; d++) {
if(restrict_dimension(d) ==0) ndim++;
}
atom_move.Resize(2*ndim*natoms);
displace.Resize(2*ndim*natoms);
int count=0;
for(int at=0; at< natoms; at++) {
for(int d=0; d< 3; d++) {
if(!restrict_dimension(d) ) {
for(int s=0; s< 2; s++) {
atom_move(count).Resize(1);
displace(count).Resize(1,3);
atom_move(count)(0)=at;
displace(count)=0;
if(s==0)
displace(count)(0,d)=0.00025;
else
displace(count)(0,d)=-0.00025;
count++;
}
}
}
}
}
prop.setDisplacement(atom_move, displace);
Properties_final_average curravg;
string vmcout=options.runid+".embed";
ofstream vmcoutput;
if(output)
vmcoutput.open(vmcout.c_str());
Array3 <doublevar> ionpos(nstep+2, natoms, 3, 0.0);
Array1 <doublevar> temppos(3);
for(int s=0; s< 2; s++) {
for(int at=0; at< natoms; at++) {
sys->getIonPos(at, temppos);
for(int d=0; d< 3; d++) {
ionpos(s,at,d)=temppos(d);
}
}
}
if(readcheckfile != "") {
read_check(ionpos);
}
for(int s=0; s< 2; s++) {
Array2 <doublevar> pos(ionpos(s));
recenter(pos, atomic_weights);
}
for(int step=0; step < nstep; step++) {
int currt=step+1; //current time
for(int at=0; at< natoms; at++) {
for(int d=0; d< 3; d++) {
temppos(d)=ionpos(currt, at, d);
}
sys->setIonPos(at, temppos);
}
qmc_avg->runWithVariables(prop, sys, wfdata, pseudo, vmcoutput);
prop.getFinal(curravg);
if(output)
output << "*****Step " << step << endl;
Array2 <doublevar> force(natoms, 3, 0.0);
Array2 <doublevar> force_err(natoms, 3, 0.0);
for(int f=0; f< atom_move.GetDim(0); f+=2 ) {
for(int m=0; m < atom_move(f).GetDim(0); m++) {
int at=atom_move(f)(m);
for(int d=0; d< 3; d++) {
//Take a finite difference between the two forces
doublevar prop=fabs(displace(f)(m,d)/curravg.aux_size(f));
doublevar fin_diff=(curravg.aux_diff(f,0)-curravg.aux_diff(f+1,0))
/(2*curravg.aux_size(f));
force(at,d)+= -prop*fin_diff;
force_err(at,d)+=prop*(curravg.aux_differr(f,0)
+curravg.aux_differr(f+1,0))
/(2*curravg.aux_size(f))/(2*curravg.aux_size(f));
}
}
}
for(int at=0; at< natoms; at++) {
for(int d=0; d< 3; d++)
force_err(at,d)=sqrt(force_err(at,d));
}
//Make sure that Newton's laws are actually followed for
//two atoms; we can do this for more, as well.
if(natoms==2) {
doublevar average=(force(0,2)-force(1,2))/2.0;
force(0,2)=average;
force(1,2)=-average;
}
//Verlet algorithm..
for(int at=0; at< natoms; at++) {
for(int d=0; d< 3; d++) {
ionpos(currt+1, at, d)=ionpos(currt, at,d)
+(1-damp)*(ionpos(currt, at, d)-ionpos(currt-1, at,d))
+tstep*tstep*force(at,d)/atomic_weights(at);
//cout << "pos " << ionpos(currt, at,d)
// << " last " << ionpos(currt-1, at,d)
// << " weight " << atomic_weights(at) << endl;
}
}
Array2 <doublevar> currpos(ionpos(currt+1));
recenter(currpos, atomic_weights);
doublevar kinen=0;
int field=output.precision() + 15;
for(int at=0; at < natoms; at++) {
if(output)
output << "position" << at << " "
<< setw(field) << ionpos(currt+1, at, 0)
<< setw(field) << ionpos(currt+1, at, 1)
<< setw(field) << ionpos(currt+1, at, 2) << endl;
Array1 <doublevar> velocity(3);
for(int d=0; d< 3; d++) {
velocity(d)=(ionpos(currt+1, at, d)-ionpos(currt-1, at,d))/(2*tstep);
}
for(int d=0;d < 3; d++) {
kinen+=.5*atomic_weights(at)*velocity(d)*velocity(d);
}
if(output ) {
output << "velocity" << at << " "
<< setw(field) << velocity(0)
<< setw(field) << velocity(1)
<< setw(field) << velocity(2) << endl;
output << "force" << at << " "
<< setw(field) << force(at,0)
<< setw(field) << force(at, 1)
<< setw(field) << force(at,2) << endl;
output << "force_err" << at
<< setw(field) << force_err(at, 0)
<< setw(field) << force_err(at, 1)
<< setw(field) << force_err(at, 2) << endl;
//output << "force" << at << "z " << force(at,2) << " +/- "
// << force_err(at,2) << endl;
}
}
if(output ) {
output << "kinetic_energy " << kinen << endl;
output << "electronic_energy " << curravg.total_energy(0) << " +/- "
<< sqrt(curravg.total_energyerr(0)) << endl;
output << "total_energy " << curravg.total_energy(0)+kinen << " +/- "
<< sqrt(curravg.total_energyerr(0)) << endl;
if(writecheckfile != "")
if(output)
write_check(ionpos, currt+1);
}
}
if(output)
vmcoutput.close();
}
