public Status get_image_file_size(
STRING filename,
int *x_size,
int *y_size,
int *nc )
{
char command[EXTREMELY_LARGE_STRING_SIZE+1];
FILE *file;
/*--- get the image size */
(void) sprintf( command, "get_image_size.pl %s", filename );
if( (file = popen( command, "r")) == NULL )
{
print_error( "Error opening file %s or finding command 'get_image_size.pl'\n",
filename );
return( ERROR );
}
if( input_int( file, x_size ) != OK ||
input_int( file, y_size ) != OK ||
input_int( file, nc ) != OK )
return( ERROR );
pclose( file );
return( OK );
}
void arbitrary_bc_polynomial_file(
struct All_variables *E,
struct PolyBc *POLY,
char *name,
standard_precision *field,
unsigned int *bcbitf,
unsigned int bcmask_on,
unsigned int bcmask_off,
const unsigned int surf
)
{
char read_string[500], pfx;
void arbitrary_bc_polynomial();
int i;
/*RAA: 5/8/01, eventually, there should be more coefficients for order>1,
for cross-terms (a6*x*y, etc) */
sprintf(read_string,"%s_bc_poly",name);
input_int(read_string,&(POLY->numb),"0");
sprintf(read_string,"%s_bc_poly_ord",name);
input_int(read_string,&(POLY->order),"0,0,19");
sprintf(read_string,"%s_bc_poly_norm",name);
input_char_vector(read_string,POLY->numb,POLY->norm);
sprintf(read_string,"%s_bc_poly_icpt",name);
input_std_precision_vector(read_string,POLY->numb,POLY->intercept);
sprintf(read_string,"%s_bc_poly_aa1",name);
input_std_precision_vector(read_string,POLY->numb,POLY->aa1);
sprintf(read_string,"%s_bc_poly_aa2",name);
input_std_precision_vector(read_string,POLY->numb,POLY->aa2);
sprintf(read_string,"%s_bc_poly_bb1",name);
input_std_precision_vector(read_string,POLY->numb,POLY->bb1);
sprintf(read_string,"%s_bc_poly_bb2",name);
input_std_precision_vector(read_string,POLY->numb,POLY->bb2);
/*RAA: 5/7/01, aaa%02d (abb%02d) used to be oaa.. (obb..),
should be <= below, not just < !!*/
/* DAS: 6/1/04, make this work for both _oaa and _aaa forms,
as long as it's consistent for each polynomial */
sprintf(read_string,"%s_bc_poly_aaa00",name);
if(input_std_precision_vector(read_string,POLY->numb,POLY->aaa[i]))
pfx = 'o';
else
pfx = 'a';
for(i=0;i<=POLY->order;i++) {
sprintf(read_string,"%s_bc_poly_%caa%02d",name,pfx,i);
input_std_precision_vector(read_string,POLY->numb,POLY->aaa[i]);
sprintf(read_string,"%s_bc_poly_%cbb%02d",name,pfx,i);
input_std_precision_vector(read_string,POLY->numb,POLY->abb[i]);
}
arbitrary_bc_polynomial(E,POLY,field,bcbitf,bcmask_on,bcmask_off,surf);
return;
}
void arbitrary_bc_harmonic_file(
struct All_variables *E,
struct HarmBc *HARM,
char *name,
standard_precision **field,
unsigned int **bcbitf,
unsigned int bcmask_on,
unsigned int bcmask_off,
const unsigned int surf
)
{
char read_string[500];
void arbitrary_bc_harmonic();
int i;
sprintf(read_string,"%s_bc_harm",name);
input_int(read_string,&(HARM->numb),"0");
sprintf(read_string,"%s_bc_harms",name);
input_int(read_string,&(HARM->harms),"0,0,19");
sprintf(read_string,"%s_bc_harm_norm",name);
input_char_vector(read_string,HARM->numb,HARM->norm);
sprintf(read_string,"%s_bc_harm_ofst",name);
input_std_precision_vector(read_string,HARM->numb,HARM->off);
sprintf(read_string,"%s_bc_harm_icpt",name);
input_std_precision_vector(read_string,HARM->numb,HARM->intercept);
sprintf(read_string,"%s_bc_harm_aa1",name);
input_std_precision_vector(read_string,HARM->numb,HARM->aa1);
sprintf(read_string,"%s_bc_harm_aa2",name);
input_std_precision_vector(read_string,HARM->numb,HARM->aa2);
sprintf(read_string,"%s_bc_harm_bb1",name);
input_std_precision_vector(read_string,HARM->numb,HARM->bb1);
sprintf(read_string,"%s_bc_harm_bb2",name);
input_std_precision_vector(read_string,HARM->numb,HARM->bb2);
for(i=0;i<HARM->harms;i++) {
sprintf(read_string,"%s_bc_harm_kaa%02d",name,i);
input_std_precision_vector(read_string,HARM->numb,HARM->kaa[i]);
sprintf(read_string,"%s_bc_harm_kbb%02d",name,i);
input_std_precision_vector(read_string,HARM->numb,HARM->kbb[i]);
sprintf(read_string,"%s_bc_harm_amp%02d",name,i);
input_std_precision_vector(read_string,HARM->numb,HARM->amp[i]);
sprintf(read_string,"%s_bc_harm_phaa%02d",name,i);
input_std_precision_vector(read_string,HARM->numb,HARM->phaa[i]);
sprintf(read_string,"%s_bc_harm_phbb%02d",name,i);
input_std_precision_vector(read_string,HARM->numb,HARM->phbb[i]);
}
arbitrary_bc_harmonic(E,HARM,field,bcbitf,bcmask_on,bcmask_off,surf);
return;
}
void arbitrary_bc_circle_file(
struct All_variables *E,
struct CircBc *CIRC,
char *name,
standard_precision **field,
unsigned int **bcbitf,
unsigned int bcmask_on,
unsigned int bcmask_off,
const unsigned int surf
)
{
char read_string[500];
void arbitrary_bc_circle();
sprintf(read_string,"%s_bc_circ",name);
input_int(read_string,&(CIRC->numb),"0");
sprintf(read_string,"%s_bc_circ_aa",name);
input_std_precision_vector(read_string,CIRC->numb,CIRC->aa);
sprintf(read_string,"%s_bc_circ_bb",name);
input_std_precision_vector(read_string,CIRC->numb,CIRC->bb);
sprintf(read_string,"%s_bc_circ_rad",name);
input_std_precision_vector(read_string,CIRC->numb,CIRC->rad);
sprintf(read_string,"%s_bc_circ_mag",name);
input_std_precision_vector(read_string,CIRC->numb,CIRC->mag);
sprintf(read_string,"%s_circhw",name);
input_std_precision_vector(read_string,CIRC->numb,CIRC->halfw);
sprintf(read_string,"%s_bc_circ_icpt",name);
input_std_precision_vector(read_string,CIRC->numb,CIRC->intercept);
sprintf(read_string,"%s_bc_circ_norm",name);
input_char_vector(read_string,CIRC->numb,CIRC->norm);
arbitrary_bc_circle(E,CIRC,field,bcbitf,bcmask_on,bcmask_off,surf);
return;
}
void Name_pairs::read_names()
{
//input number of names;
std::cout << "please input the number of names (one int(>0) in a line)" << std::endl;
int n = 0;
while (true){
n = input_int();
if (n > 0){
break;
}
std::cout << "Invalid number. Try again." << std::endl;
}
//clear data;
name.clear();
age.clear();
//input names;
std::cout << "Please input " << n << " names below (one per line)" << std::endl;
std::string s = "";
for (int i = 0; i < n; ++i){
std::getline(std::cin, s);
if (std::cin.bad()){
throw std::runtime_error("bad stream");
}
if (std::cin.eof()){
throw std::runtime_error("unexpected end of file");
}
name.push_back(s);
}
}
void grain_growth_initialize(
struct All_variables *E
)
{
int i,j,el,level,rheo,material;
char default_str[40];
/* Which formulation is to be used .... growth/nucleation or empirical */
input_int("Grain_size_model",&(E->tracer.grain_size_model),"1");
for(material=0;material<=E->tracer.NUM_MATERIALS;material++) {
if(E->tracer.grain_size_model==1) {
sprintf(default_str,"Material_%d_grsz_epsT",material);
input_std_precision(default_str,&(E->tracer.grain[material].grsz_epsT),"0.0");
sprintf(default_str,"Material_%d_grsz_B",material);
input_std_precision(default_str,&(E->tracer.grain[material].grsz_B),"1.0");
sprintf(default_str,"Material_%d_grsz_stsexp",material);
input_std_precision(default_str,&(E->tracer.grain[material].grsz_stsexp),"1.0");
}
else if (E->tracer.grain_size_model==2) {
sprintf(default_str,"Material_%d_reduction_factor_e",material);
input_std_precision(default_str,&(E->tracer.grain[material].reduction_factor_equil),"1.0");
sprintf(default_str,"Material_%d_reduction_factor_m",material);
input_std_precision(default_str,&(E->tracer.grain[material].reduction_factor_metas),"1.0");
sprintf(default_str,"Material_%d_grain_T_dep",material);
input_int_vector(default_str,E->tracer.Phases[material],E->tracer.grain[material].GRAIN_T_dep,1);
sprintf(default_str,"Material_%d_grain_gr_a",material);
input_std_precision_vector(default_str,E->tracer.Phases[material],E->tracer.grain[material].ggrw_a,0.0);
sprintf(default_str,"Material_%d_grain_gr_m",material);
input_std_precision_vector(default_str,E->tracer.Phases[material],E->tracer.grain[material].ggrw_m,0.0);
sprintf(default_str,"Material_%d_grain_gr_Q",material);
input_std_precision_vector(default_str,E->tracer.Phases[material],E->tracer.grain[material].ggrw_Q,0.0);
sprintf(default_str,"Material_%d_grain_gr_T",material);
input_std_precision_vector(default_str,E->tracer.Phases[material],E->tracer.grain[material].ggrw_T,0.0);
sprintf(default_str,"Material_%d_grain_gr_T0",material);
input_std_precision_vector(default_str,E->tracer.Phases[material],E->tracer.grain[material].ggrw_T0,0.0);
sprintf(default_str,"Material_%d_grain_nu_a",material);
input_std_precision_vector(default_str,E->tracer.Phases[material],E->tracer.grain[material].gnuc_a,0.0);
sprintf(default_str,"Material_%d_grain_nu_m",material);
input_std_precision_vector(default_str,E->tracer.Phases[material],E->tracer.grain[material].gnuc_m,0.0);
sprintf(default_str,"Material_%d_grain_nu_meps",material);
input_std_precision_vector(default_str,E->tracer.Phases[material],E->tracer.grain[material].gnuc_meps,0.0);
}
}
return;
}
void interrupt handler(void){
int int_id;
//determine if port is open
if(DCB->flag != OPEN) outportb(PIC_CMD, 0x20);
else{
//Read Interrupt ID
int_id=inportb(COM1_INT_ID_REG);
int_id &= 0x07;
//calling appropiate second-level handler
if(int_id == 2) output_int();
else if(int_id == 4) input_int();
//clear interrupt
outportb(PIC_CMD,0x20);
}
}//end new_handler
void arbitrary_bc_rectangle_file(
struct All_variables *E,
struct RectBc *RECT,
char *name,
standard_precision **field,
unsigned int **bcbitf,
const unsigned int bcmask_on,
const unsigned int bcmask_off,
const unsigned int surf
)
{
char read_string[500];
void arbitrary_bc_rectangle();
sprintf(read_string,"%s_bc_rect",name);
input_int(read_string,&(RECT->numb),"0");
sprintf(read_string,"%s_bc_rect_aa1",name);
input_std_precision_vector(read_string,RECT->numb,RECT->aa1);
sprintf(read_string,"%s_bc_rect_aa2",name);
input_std_precision_vector(read_string,RECT->numb,RECT->aa2);
sprintf(read_string,"%s_bc_rect_bb1",name);
input_std_precision_vector(read_string,RECT->numb,RECT->bb1);
sprintf(read_string,"%s_bc_rect_bb2",name);
input_std_precision_vector(read_string,RECT->numb,RECT->bb2);
sprintf(read_string,"%s_bc_rect_hw",name);
input_std_precision_vector(read_string,RECT->numb,RECT->halfw);
sprintf(read_string,"%s_bc_rect_mag",name);
input_std_precision_vector(read_string,RECT->numb,RECT->mag);
sprintf(read_string,"%s_bc_rect_icpt",name);
input_std_precision_vector(read_string,RECT->numb,RECT->intercept);
sprintf(read_string,"%s_bc_rect_norm",name);
input_char_vector(read_string,RECT->numb,RECT->norm);
arbitrary_bc_rectangle(E,RECT,field,bcbitf,bcmask_on,bcmask_off,surf);
return;
}
//# MENU antenna
void antenna_main()
{
frequency=(int64_t)input_int("Frequency:",(int)(frequency/1000000),50,4000,4)*1000000;
lcdClear();
lcdSetCrsr(0,0);
lcdPrintln("Antenna Frequency");
lcdNl();
lcdPrint(" ");
lcdPrint(IntToStr(frequency/1000000,4,F_LONG));
lcdPrintln(" MHz ");
lcdNl();
lcdPrintln("Antenna Length");
float meter = SPEEDOFLIGHT/frequency;
lcdNl();
lcdPrint(" ");
lcdPrint(IntToStr(meter * 1000, 4, F_LONG ));
lcdPrint(" mm");
lcdNl();
lcdPrint(" ");
lcdPrint(IntToStr(meter * 1000 / 2, 4, F_LONG ));
lcdPrint(" mm");
lcdNl();
lcdPrint(" ");
lcdPrint(IntToStr(meter * 1000 / 4, 4, F_LONG ));
lcdPrint(" mm");
lcdDisplay();
getInputWaitRepeat();
}
void Runtest(char *mode, int argc, char *argv[])
{
FILE *fp,*fp0,*fp1,*fp2,*fp3;
int Num_DatFiles,i,j,k,fp_OK;
int Num_Atoms;
int NGrid1_1,NGrid1_2,NGrid1_3;
int NGrid2_1,NGrid2_2,NGrid2_3;
double Utot1,Utot2,dU,dF;
double Spread1,Spread2;
double Omega1,Omega2;
double gx,gy,gz,fx,fy,fz;
double sum1,sum2;
double time1,TotalTime;
char fname[YOUSO10];
char fname0[YOUSO10];
char fname1[YOUSO10];
char fname2[YOUSO10];
char fname_dat[YOUSO10];
char fname_dat2[YOUSO10];
char fname_out1[YOUSO10];
char fname_out2[YOUSO10];
char ftmp[YOUSO10];
fname_type *fndat;
char operate[800];
int numprocs,myid;
char *dir;
char *input_dir;
char *output_file;
DIR *dp;
struct dirent *entry;
MPI_Request request;
MPI_Status status;
/* set up MPI */
MPI_Comm_size(MPI_COMM_WORLD1, &numprocs);
MPI_Comm_rank(MPI_COMM_WORLD1, &myid);
if (strcasecmp(mode,"S")==0){
input_dir = "input_example";
output_file = "runtest.result";
}
else if (strcasecmp(mode,"L")==0){
input_dir = "large_example";
output_file = "runtestL.result";
}
else if (strcasecmp(mode,"L2")==0){
input_dir = "large2_example";
output_file = "runtestL2.result";
}
else if (strcasecmp(mode,"G")==0){
input_dir = "geoopt_example";
output_file = "runtestG.result";
}
else if (strcasecmp(mode,"WF")==0){
input_dir = "wf_example";
output_file = "runtestWF.result";
}
else if (strcasecmp(mode,"NEGF")==0){
input_dir = "negf_example";
output_file = "runtestNEGF.result";
}
/* set Runtest_flag */
Runtest_flag = 1;
/* initialize TotalTime */
TotalTime = 0.0;
/* print the header */
if (myid==Host_ID){
printf("\n*******************************************************\n"); fflush(stdout);
printf("*******************************************************\n"); fflush(stdout);
printf(" Welcome to OpenMX Ver. %s \n",Version_OpenMX); fflush(stdout);
printf(" Copyright (C), 2002-2013, T.Ozaki \n"); fflush(stdout);
printf(" OpenMX comes with ABSOLUTELY NO WARRANTY. \n"); fflush(stdout);
printf(" This is free software, and you are welcome to \n"); fflush(stdout);
printf(" redistribute it under the constitution of the GNU-GPL.\n"); fflush(stdout);
printf("*******************************************************\n"); fflush(stdout);
printf("*******************************************************\n\n\n");fflush(stdout);
printf("\n");
printf(" OpenMX is now in the mode to check whether OpenMX runs normally\n"); fflush(stdout);
printf(" on your machine or not by comparing the stored *.out and\n"); fflush(stdout);
printf(" generated *.out \n"); fflush(stdout);
printf("\n");fflush(stdout);
/* set dir */
dir = input_dir;
/* count the number of dat files */
if(( dp = opendir(dir) ) == NULL ){
printf("could not find the directry '%s'\n",input_dir);
MPI_Finalize();
exit(0);
}
Num_DatFiles = 0;
while((entry = readdir(dp)) != NULL){
if ( strstr(entry->d_name,".dat")!=NULL ){
Num_DatFiles++;
}
}
closedir(dp);
fndat = (fname_type*)malloc(sizeof(fname_type)*Num_DatFiles);
/* store the name of dat files */
if(( dp = opendir(dir) ) == NULL ){
printf("could not find the directry '%s'\n",input_dir);
MPI_Finalize();
exit(0);
}
Num_DatFiles = 0;
while((entry = readdir(dp)) != NULL){
if ( strstr(entry->d_name,".dat")!=NULL ){
sprintf(fndat[Num_DatFiles].fn,"%s/%s",input_dir,entry->d_name);
Num_DatFiles++;
}
}
closedir(dp);
/* sorting fndat */
qsort(fndat, Num_DatFiles, sizeof(fname_type), stringcomp);
/*
for (i=0; i<Num_DatFiles; i++){
printf("i=%2d %s\n",i,fndat[i].fn);
}
*/
} /* if (myid==Host_ID) */
sprintf(fname2,"%s",output_file);
if (myid==Host_ID){
fp = fopen(fname2, "r");
if (fp!=NULL){
fclose(fp);
sprintf(operate,"%s",fname2);
remove(operate);
}
}
if (myid==Host_ID){
printf(" %2d dat files are found in the directory '%s'.\n\n\n",Num_DatFiles,input_dir);
}
MPI_Bcast(&Num_DatFiles, 1, MPI_INT, Host_ID, MPI_COMM_WORLD1);
/***********************************************************
start calculations
***********************************************************/
for (i=0; i<Num_DatFiles; i++){
if (myid==Host_ID){
sprintf(fname_dat,"%s",fndat[i].fn);
}
MPI_Bcast(&fname_dat, YOUSO10, MPI_CHAR, Host_ID, MPI_COMM_WORLD1);
/* run openmx */
argv[1] = fname_dat;
run_main(argc, argv, numprocs, myid);
/***********************************************************
comparison between two files and save the result
***********************************************************/
if (myid==Host_ID){
input_open(fname_dat);
input_string("System.Name",fname_dat2,"default");
input_close();
/* compare two out files */
sprintf(fname_out1,"%s.out",fname_dat2);
sprintf(fname_out2,"%s/%s.out",input_dir,fname_dat2);
/* generated file */
input_open(fname_out1);
input_double("Utot.",&Utot1,(double)0.0);
/* for Wannier functions */
if (strcasecmp(mode,"WF")==0){
input_double("Sum.of.Spreads.",&Spread1,(double)0.0);
input_double("Total.Omega.=",&Omega1,(double)0.0);
}
input_int("Num.Grid1.",&NGrid1_1,(int)0);
input_int("Num.Grid2.",&NGrid1_2,(int)0);
input_int("Num.Grid3.",&NGrid1_3,(int)0);
input_double("Elapsed.Time.",&time1,(double)0.0);
TotalTime += time1;
if (fp3=input_find("<coordinates.forces")) {
fscanf(fp3,"%d",&Num_Atoms);
sum1 = 0.0;
for (j=1; j<=Num_Atoms; j++){
fscanf(fp3,"%d %s %lf %lf %lf %lf %lf %lf",
&k,ftmp,&gx,&gy,&gz,&fx,&fy,&fz);
sum1 += fx + fy + fz;
}
if ( ! input_last("coordinates.forces>") ) {
printf("Format error for coordinates.forces\n");
}
}
else {
sum1 = 1000.0;
}
input_close();
/* stored file */
input_open(fname_out2);
/* Utot */
input_double("Utot.",&Utot2,(double)0.0);
/* for Wannier functions */
if (strcasecmp(mode,"WF")==0){
input_double("Sum.of.Spreads.",&Spread2,(double)0.0);
input_double("Total.Omega.=",&Omega2,(double)0.0);
}
/* grids */
input_int("Num.Grid1.",&NGrid2_1,(int)0);
input_int("Num.Grid2.",&NGrid2_2,(int)0);
input_int("Num.Grid3.",&NGrid2_3,(int)0);
/* coordinates and forces */
if (fp3=input_find("<coordinates.forces")) {
fscanf(fp3,"%d",&Num_Atoms);
sum2 = 0.0;
for (j=1; j<=Num_Atoms; j++){
fscanf(fp3,"%d %s %lf %lf %lf %lf %lf %lf",
&k,ftmp,&gx,&gy,&gz,&fx,&fy,&fz);
sum2 += fx + fy + fz;
}
if ( ! input_last("coordinates.forces>") ) {
/* format error */
printf("Format error for coordinates.forces\n");
}
}
else {
sum2 = 100.0;
}
input_close();
dU = fabs(Utot1 - Utot2);
dF = fabs(sum1 - sum2);
/* write the result to a file, runtest.result */
if ( (fp2 = fopen(fname2,"a")) != NULL ){
if ( (NGrid1_1!=NGrid2_1)
|| (NGrid1_2!=NGrid2_2)
|| (NGrid1_3!=NGrid2_3) )
{
fprintf(fp2," Invalid comparison due to the different number of grids.\n");
fprintf(fp2," You may use a different radix for FFT.\n");
}
if (strcasecmp(mode,"WF")==0){
fprintf(fp2,"%4d %-32.30s Elapsed time(s)=%8.2f diff spread=%15.12f diff Omega=%15.12f\n",
i+1,fname_dat,time1,fabs(Spread1-Spread2),fabs(Omega1-Omega2));
}
else{
fprintf(fp2,"%4d %-32.30s Elapsed time(s)=%8.2f diff Utot=%15.12f diff Force=%15.12f\n",
i+1,fname_dat,time1,dU,dF);
}
if (i==(Num_DatFiles-1)){
fprintf(fp2,"\n\nTotal elapsed time (s) %11.2f\n",TotalTime);
}
fclose(fp2);
}
}
}
/* tell us the end of calculation */
if (myid==Host_ID){
printf("\n\n\n\n");
printf("The comparison can be found in a file '%s'.\n\n\n",output_file);
}
if (myid==Host_ID){
free(fndat);
}
MPI_Barrier(MPI_COMM_WORLD1);
MPI_Finalize();
exit(0);
}
void Show_DFT_DATA(char *argv[])
{
FILE *fp,*fp0,*fp1,*fp2,*fp3;
int Num_DatFiles,i,j,k,fp_OK;
int Num_Atoms;
int NGrid1_1,NGrid1_2,NGrid1_3;
int NGrid2_1,NGrid2_2,NGrid2_3;
double Utot1,Utot2,dU,dF;
double gx,gy,gz,fx,fy,fz;
double sum1,sum2;
double time1,TotalTime;
char SN[30][YOUSO10];
char SB[30][YOUSO10];
char SV[30][YOUSO10];
char fname[YOUSO10];
char fname0[YOUSO10];
char fname1[YOUSO10];
char fname2[YOUSO10];
char fname_dat[YOUSO10];
char fname_dat2[YOUSO10];
char fname_out1[YOUSO10];
char fname_out2[YOUSO10];
char ftmp[YOUSO10];
fname_type *fndat;
int numprocs,myid;
char *dir;
char input_dir[300];
char *output_file;
DIR *dp;
struct dirent *entry;
MPI_Request request;
MPI_Status status;
/* set up MPI */
MPI_Comm_size(mpi_comm_level1,&numprocs);
MPI_Comm_rank(mpi_comm_level1,&myid);
sprintf(input_dir,"%s",argv[2]);
printf("%s\n",input_dir);
/* print the header */
if (myid==Host_ID){
/* set dir */
dir = input_dir;
/* count the number of dat files */
if(( dp = opendir(dir) ) == NULL ){
printf("could not find the directry '%s'\n",input_dir);
MPI_Finalize();
exit(0);
}
Num_DatFiles = 0;
while((entry = readdir(dp)) != NULL){
if ( strstr(entry->d_name,".dat")!=NULL ){
Num_DatFiles++;
}
}
closedir(dp);
fndat = (fname_type*)malloc(sizeof(fname_type)*Num_DatFiles);
/* store the name of dat files */
if(( dp = opendir(dir) ) == NULL ){
printf("could not find the directry '%s'\n",input_dir);
MPI_Finalize();
exit(0);
}
Num_DatFiles = 0;
while((entry = readdir(dp)) != NULL){
if ( strstr(entry->d_name,".dat")!=NULL ){
sprintf(fndat[Num_DatFiles].fn,"%s/%s",input_dir,entry->d_name);
Num_DatFiles++;
}
}
closedir(dp);
} /* if (myid==Host_ID) */
if (myid==Host_ID){
printf(" %2d dat files are found in the directory '%s'.\n\n\n",Num_DatFiles,input_dir);
}
/***********************************************************
start calculations
***********************************************************/
for (i=0; i<Num_DatFiles; i++){
sprintf(fname_dat,"%s",fndat[i].fn);
input_open(fname_dat);
input_int("Species.Number",&SpeciesNum,0);
/* read Definition.of.Atomic.Species */
if (fp=input_find("<Definition.of.Atomic.Species")) {
for (k=0; k<SpeciesNum; k++){
fscanf(fp,"%s %s %s",SN[k],SB[k],SV[k]);
printf("i=%2d k=%2d %s %s\n",i,k,SB[k],SV[k]);
/*
SpeciesString2int(i);
*/
}
if (! input_last("Definition.of.Atomic.Species>")) {
MPI_Finalize();
exit(0);
}
}
input_close();
}
if (myid==Host_ID){
free(fndat);
}
MPI_Barrier(mpi_comm_level1);
MPI_Finalize();
exit(0);
}
int main()
{
char cmd[20];
int done = 0;
int ret, trk, a, b;
if (cd_init() < 0) {
printf("Error initialising libcda (%s)\n", cd_error);
return 1;
}
show_cmds();
do {
printf(">>> ");
fflush(stdout);
scanf("%s", cmd);
switch (cmd[0]) {
case '?':
show_cmds();
break;
case 'p':
trk = input_int("Track");
ret = cd_play(trk);
if (ret != 0)
printf("Error occurred (%s)\n", cd_error);
break;
case 'r':
a = input_int("First track");
b = input_int("Last track");
ret = cd_play_range(a, b);
if (ret != 0)
printf("Error occurred (%s)\n", cd_error);
break;
case 'f':
trk = input_int("Start track");
ret = cd_play_from(trk);
if (ret != 0)
printf("Error occurred (%s)\n", cd_error);
break;
case 'P':
trk = cd_current_track();
if (trk)
printf("Playing track %d\n", trk);
else
printf("Not playing\n");
break;
case 'w':
cd_pause();
break;
case 'W':
cd_resume();
break;
case 'S':
ret = cd_is_paused();
if (ret)
printf("Paused\n");
else
printf("Not paused\n");
break;
case 's':
cd_stop();
break;
case 'i':
ret = cd_get_tracks(&a, &b);
if (ret != 0)
printf("Error occurred (%s)\n", cd_error);
else
printf("First track: %d\nLast track: %d\n", a, b);
break;
case 'a':
trk = input_int("Track");
ret = cd_is_audio(trk);
if (ret < 0)
printf("Error occurred (%s)\n", cd_error);
else
printf("Track %d is %s\n", trk, (ret ? "audio" : "data"));
break;
case 'v':
a = input_int("Left (0-255)");
b = input_int("Right (0-255)");
cd_set_volume(a, b);
break;
case 'V':
cd_get_volume(&a, &b);
printf("Left volume: %d\nRight volume: %d\n", a, b);
break;
case 'e':
cd_eject();
break;
case 'c':
cd_close();
break;
case 'q':
done = 1;
break;
default:
printf("Unrecognised command: `%c'\n", cmd[0]);
}
} while (!done);
cd_exit();
return 0;
}
void TRAN_Input_std(
MPI_Comm comm1,
int Solver, /* input */
int SpinP_switch,
char *filepath,
double kBvalue,
double TRAN_eV2Hartree,
double Electronic_Temperature,
/* output */
int *output_hks
)
{
FILE *fp;
int i,po;
int i_vec[20],i_vec2[20];
double r_vec[20];
char *s_vec[20];
char buf[MAXBUF];
int myid;
/* S MitsuakiKAWAMURA*/
int TRAN_Analysis_Dummy;
/* E MitsuakiKAWAMURA*/
MPI_Comm_rank(comm1,&myid);
/****************************************************
parameters for TRANSPORT
****************************************************/
input_logical("NEGF.Output_HKS",&TRAN_output_hks,0);
*output_hks = TRAN_output_hks;
/* printf("NEGF.OutputHKS=%d\n",TRAN_output_hks); */
input_string("NEGF.filename.HKS",TRAN_hksoutfilename,"NEGF.hks");
/* printf("TRAN_hksoutfilename=%s\n",TRAN_hksoutfilename); */
input_logical("NEGF.Output.for.TranMain",&TRAN_output_TranMain,0);
if ( Solver!=4 ) { return; }
/**** show transport credit ****/
TRAN_Credit(comm1);
input_string("NEGF.filename.hks.l",TRAN_hksfilename[0],"NEGF.hks.l");
input_string("NEGF.filename.hks.r",TRAN_hksfilename[1],"NEGF.hks.r");
/* read data of leads */
TRAN_RestartFile(comm1, "read","left", filepath,TRAN_hksfilename[0]);
TRAN_RestartFile(comm1, "read","right",filepath,TRAN_hksfilename[1]);
/* check b-, and c-axes of the unit cell of leads. */
po = 0;
for (i=2; i<=3; i++){
if (1.0e-10<fabs(tv_e[0][i][1]-tv_e[1][i][1])) po = 1;
if (1.0e-10<fabs(tv_e[0][i][2]-tv_e[1][i][2])) po = 1;
if (1.0e-10<fabs(tv_e[0][i][3]-tv_e[1][i][3])) po = 1;
}
if (po==1){
if (myid==Host_ID){
printf("Warning: The b- or c-axis of the unit cell for the left lead is not same as that for the right lead.\n");
}
MPI_Finalize();
exit(1);
}
/* show chemical potentials */
if (myid==Host_ID){
printf("\n");
printf("Intrinsic chemical potential (eV) of the leads\n");
printf(" Left lead: %15.12f\n",ChemP_e[0]*TRAN_eV2Hartree);
printf(" Right lead: %15.12f\n",ChemP_e[1]*TRAN_eV2Hartree);
}
/* check the conflict of SpinP_switch */
if ( (SpinP_switch!=SpinP_switch_e[0]) || (SpinP_switch!=SpinP_switch_e[1]) ){
if (myid==Host_ID){
printf ("scf.SpinPolarization conflicts between leads or lead and center.\n");
}
MPI_Finalize();
exit(0);
}
input_int( "NEGF.Surfgreen.iterationmax", &tran_surfgreen_iteration_max, 600);
input_double("NEGF.Surfgreen.convergeeps", &tran_surfgreen_eps, 1.0e-12);
/**** k-points parallel to the layer, which are used for the SCF calc. ****/
i_vec2[0]=1;
i_vec2[1]=1;
input_intv("NEGF.scf.Kgrid",2,i_vec,i_vec2);
TRAN_Kspace_grid2 = i_vec[0];
TRAN_Kspace_grid3 = i_vec[1];
if (TRAN_Kspace_grid2<=0){
if (myid==Host_ID){
printf("NEGF.scf.Kgrid should be over 1\n");
}
MPI_Finalize();
exit(1);
}
if (TRAN_Kspace_grid3<=0){
if (myid==Host_ID){
printf("NEGF.scf.Kgrid should be over 1\n");
}
MPI_Finalize();
exit(1);
}
/* Poisson solver */
TRAN_Poisson_flag = 1;
/* beginning added by mari 07.23.2014 */
s_vec[0]="FD"; s_vec[1]="FFT"; s_vec[2]="FDG";
i_vec[0]=1 ; i_vec[1]=2 ; i_vec[2]=3 ;
input_string2int("NEGF.Poisson.Solver", &TRAN_Poisson_flag, 3, s_vec,i_vec);
/* end added by mari 07.23.2014 */
/* parameter to scale terms with Gpara=0 */
input_double("NEGF.Poisson_Gparazero.scaling", &TRAN_Poisson_Gpara_Scaling, 1.0);
/* the number of buffer cells in FFTE */
input_int("NEGF.FFTE.Num.Buffer.Cells", &TRAN_FFTE_CpyNum, 1);
/* the number of iterations by the Band calculation in the initial SCF iterations */
input_int("NEGF.SCF.Iter.Band", &TRAN_SCF_Iter_Band, 3);
/* integration method */
TRAN_integration = 0;
s_vec[0]="CF"; s_vec[1]="OLD";
i_vec[0]=0 ; i_vec[1]=1 ;
input_string2int("NEGF.Integration", &TRAN_integration, 2, s_vec,i_vec);
/* check whether analysis is made or not */
input_logical("NEGF.tran.analysis",&TRAN_analysis,1);
/* S MitsuakiKAWAMURA*/
input_logical("NEGF.tran.channel", &TRAN_Analysis_Dummy, 1);
if (TRAN_Analysis_Dummy == 1 && TRAN_analysis != 1){
TRAN_analysis = 1;
if (myid == Host_ID)
printf("Since NEGF.tran.channel is on, NEGF.tran.analysis is automatically set to on.\n");
}
input_logical("NEGF.tran.CurrentDensity", &TRAN_Analysis_Dummy, 1);
if (TRAN_Analysis_Dummy == 1 && TRAN_analysis != 1){
TRAN_analysis = 1;
if (myid == Host_ID)
printf("Since NEGF.tran.CurrentDensity is on, NEGF.tran.analysis is automatically set to on.\n");
}
input_logical("NEGF.OffDiagonalCurrent", &TRAN_Analysis_Dummy, 0);
if (TRAN_Analysis_Dummy == 1 && TRAN_analysis != 1) {
TRAN_analysis = 1;
if (myid == Host_ID)
printf("Since NEGF.OffDiagonalCurrent is on, NEGF.tran.analysis is automatically set to on.\n");
}
/* E MitsuakiKAWAMURA*/
/* check whether the SCF calcultion is skipped or not */
i = 0;
s_vec[i] = "OFF"; i_vec[i] = 0; i++;
s_vec[i] = "ON"; i_vec[i] = 1; i++;
s_vec[i] = "Periodic"; i_vec[i] = 2; i++;
input_string2int("NEGF.tran.SCF.skip", &TRAN_SCF_skip, i, s_vec, i_vec);
/**** k-points parallel to the layer, which are used for the transmission calc. ****/
i_vec2[0]=TRAN_Kspace_grid2;
i_vec2[1]=TRAN_Kspace_grid3;
input_intv("NEGF.tran.Kgrid",2,i_vec,i_vec2);
TRAN_TKspace_grid2 = i_vec[0];
TRAN_TKspace_grid3 = i_vec[1];
if (TRAN_TKspace_grid2<=0){
if (myid==Host_ID){
printf("NEGF.tran.Kgrid should be over 1\n");
}
MPI_Finalize();
exit(1);
}
if (TRAN_TKspace_grid3<=0){
if (myid==Host_ID){
printf("NEGF.tran.Kgrid should be over 1\n");
}
MPI_Finalize();
exit(1);
}
/**** source and drain bias voltage ****/
input_logical("NEGF.bias.apply",&tran_bias_apply,1); /* default=on */
if ( tran_bias_apply ) {
double tmp;
tran_biasvoltage_e[0] = 0.0;
input_double("NEGF.bias.voltage", &tmp, 0.0); /* in eV */
tran_biasvoltage_e[1] = tmp/TRAN_eV2Hartree;
}
else {
tran_biasvoltage_e[0]=0.0;
tran_biasvoltage_e[1]=0.0;
}
if (tran_bias_apply) {
int side;
side=0;
TRAN_Apply_Bias2e(comm1, side, tran_biasvoltage_e[side], TRAN_eV2Hartree,
SpinP_switch_e[side], atomnum_e[side],
WhatSpecies_e[side], Spe_Total_CNO_e[side], FNAN_e[side], natn_e[side],
Ngrid1_e[side], Ngrid2_e[side], Ngrid3_e[side], OLP_e[side][0],
&ChemP_e[side],H_e[side], dVHart_Grid_e[side] ); /* output */
side=1;
TRAN_Apply_Bias2e(comm1, side, tran_biasvoltage_e[side], TRAN_eV2Hartree,
SpinP_switch_e[side], atomnum_e[side],
WhatSpecies_e[side], Spe_Total_CNO_e[side], FNAN_e[side], natn_e[side],
Ngrid1_e[side], Ngrid2_e[side], Ngrid3_e[side], OLP_e[side][0],
&ChemP_e[side], H_e[side], dVHart_Grid_e[side] ); /* output */
}
/**** gate voltage ****/
/* beginning added by mari 07.30.2014 */
if(TRAN_Poisson_flag == 3) {
r_vec[0] = 0.0;
r_vec[1] = 0.0;
input_doublev("NEGF.gate.voltage", 2, tran_gate_voltage, r_vec);
tran_gate_voltage[0] /= TRAN_eV2Hartree;
tran_gate_voltage[1] /= TRAN_eV2Hartree;
} else {
r_vec[0] = 0.0;
input_doublev("NEGF.gate.voltage", 1, tran_gate_voltage, r_vec);
tran_gate_voltage[0] /= TRAN_eV2Hartree;
}
/* end added by mari 07.30.2014 */
/******************************************************
parameters for the DOS calculation
******************************************************/
i=0;
r_vec[i++] = -10.0;
r_vec[i++] = 10.0;
r_vec[i++] = 5.0e-3;
input_doublev("NEGF.Dos.energyrange",i, tran_dos_energyrange, r_vec); /* in eV */
/* change the unit from eV to Hartree */
tran_dos_energyrange[0] /= TRAN_eV2Hartree;
tran_dos_energyrange[1] /= TRAN_eV2Hartree;
tran_dos_energyrange[2] /= TRAN_eV2Hartree;
input_int("NEGF.Dos.energy.div",&tran_dos_energydiv,200);
i_vec2[0]=1;
i_vec2[1]=1;
input_intv("NEGF.Dos.Kgrid",2,i_vec,i_vec2);
TRAN_dos_Kspace_grid2 = i_vec[0];
TRAN_dos_Kspace_grid3 = i_vec[1];
/********************************************************
integration on real axis with a small imaginary part
for the "non-equilibrium" region
********************************************************/
input_double("NEGF.bias.neq.im.energy", &Tran_bias_neq_im_energy, 1.0e-2); /* in eV */
if (Tran_bias_neq_im_energy<0.0) {
if (myid==Host_ID) printf("NEGF.bias.neq.im.energy should be positive.\n");
MPI_Finalize();
exit(1);
}
/* change the unit from eV to Hartree */
Tran_bias_neq_im_energy /= TRAN_eV2Hartree;
input_double("NEGF.bias.neq.energy.step", &Tran_bias_neq_energy_step, 0.02); /* in eV */
if (Tran_bias_neq_energy_step<0.0) {
if (myid==Host_ID) printf("NEGF.bias.neq.energy.step should be positive.\n");
MPI_Finalize();
exit(1);
}
/* change the unit from eV to Hartree */
Tran_bias_neq_energy_step /= TRAN_eV2Hartree;
input_double("NEGF.bias.neq.cutoff", &Tran_bias_neq_cutoff, 1.0e-8); /* dimensionless */
/********************************************************
contour integration based on a continued
fraction representation of the Fermi function
********************************************************/
input_int("NEGF.Num.Poles", &tran_num_poles,150);
TRAN_Set_IntegPath( comm1, TRAN_eV2Hartree, kBvalue, Electronic_Temperature );
}
void tic_input(struct All_variables *E)
{
int m = E->parallel.me;
int noz = E->lmesh.noz;
int n;
#ifdef USE_GGRD
int tmp;
#endif
input_int("tic_method", &(E->convection.tic_method), "0,0,2", m);
#ifdef USE_GGRD /* for backward capability */
input_int("ggrd_tinit", &tmp, "0", m);
if(tmp){
E->convection.tic_method = 4; /* */
E->control.ggrd.use_temp = 1;
}
#endif
/* When tic_method is 0 (default), the temperature is a linear profile +
perturbation at some layers.
When tic_method is -1, the temperature is read in from the
[datafile_old].velo.[rank].[solution_cycles_init] files.
When tic_method is 1, the temperature is isothermal (== bottom b.c.) +
uniformly cold plate (thickness specified by 'half_space_age').
When tic_method is 2, (tic_method==1) + a hot blob. A user can specify
the location and radius of the blob, and also the amplitude of temperature
change in the blob relative to the ambient mantle temperautre
(E->control.mantle_temp).
- blob_center: A comma-separated list of three float numbers.
- blob_radius: A dmensionless length, typically a fraction
of the Earth's radius.
- blob_dT : Dimensionless temperature.
When tic_method is 3, the temperature is a linear profile + perturbation
for whole mantle.
tic_method is 4: read in initial temperature distribution from a set of netcdf grd
files. this required the GGRD extension to be compiled in
*/
/* This part put a temperature anomaly at depth where the global
node number is equal to load_depth. The horizontal pattern of
the anomaly is given by spherical harmonic ll & mm. */
input_int("num_perturbations", &n, "0,0,PERTURB_MAX_LAYERS", m);
if (n > 0) {
E->convection.number_of_perturbations = n;
if (! input_float_vector("perturbmag", n, E->convection.perturb_mag, m) ) {
fprintf(stderr,"Missing input parameter: 'perturbmag'\n");
parallel_process_termination();
}
if (! input_int_vector("perturbm", n, E->convection.perturb_mm, m) ) {
fprintf(stderr,"Missing input parameter: 'perturbm'\n");
parallel_process_termination();
}
if (! input_int_vector("perturbl", n, E->convection.perturb_ll, m) ) {
fprintf(stderr,"Missing input parameter: 'perturbl'\n");
parallel_process_termination();
}
if (! input_int_vector("perturblayer", n, E->convection.load_depth, m) ) {
fprintf(stderr,"Missing input parameter: 'perturblayer'\n");
parallel_process_termination();
}
}
else {
E->convection.number_of_perturbations = 1;
E->convection.perturb_mag[0] = 1;
E->convection.perturb_mm[0] = 2;
E->convection.perturb_ll[0] = 2;
E->convection.load_depth[0] = (noz+1)/2;
}
input_float("half_space_age", &(E->convection.half_space_age), "40.0,1e-3,nomax", m);
input_float("mantle_temp",&(E->control.mantle_temp),"1.0",m);
switch(E->convection.tic_method){
case 2: /* blob */
if( ! input_float_vector("blob_center", 3, E->convection.blob_center, m)) {
assert( E->sphere.caps == 12 || E->sphere.caps == 1 );
if(E->sphere.caps == 12) { /* Full version: just quit here */
fprintf(stderr,"Missing input parameter: 'blob_center'.\n");
parallel_process_termination();
}
else if(E->sphere.caps == 1) { /* Regional version: put the blob at the center */
fprintf(stderr,"Missing input parameter: 'blob_center'. The blob will be placed at the center of the domain.\n");
E->convection.blob_center[0] = 0.5*(E->control.theta_min+E->control.theta_max);
E->convection.blob_center[1] = 0.5*(E->control.fi_min+E->control.fi_max);
E->convection.blob_center[2] = 0.5*(E->sphere.ri+E->sphere.ro);
}
}
input_float("blob_radius", &(E->convection.blob_radius), "0.063,0.0,1.0", m);
input_float("blob_dT", &(E->convection.blob_dT), "0.18,nomin,nomax", m);
input_boolean("blob_bc_persist",&(E->convection.blob_bc_persist),"off",m);
break;
case 4:
/*
case 4: initial temp from grd files
*/
#ifdef USE_GGRD
/*
read in some more parameters
*/
/* scale the anomalies with PREM densities */
input_boolean("ggrd_tinit_scale_with_prem",
&(E->control.ggrd.temp.scale_with_prem),"off",E->parallel.me);
/* limit T to 0...1 */
input_boolean("ggrd_tinit_limit_trange",
&(E->control.ggrd.temp.limit_trange),"on",E->parallel.me);
/* scaling factor for the grids */
input_double("ggrd_tinit_scale",
&(E->control.ggrd.temp.scale),"1.0",E->parallel.me); /* scale */
/* temperature offset factor */
input_double("ggrd_tinit_offset",
&(E->control.ggrd.temp.offset),"0.0",E->parallel.me); /* offset */
/*
do we want a different scaling for the lower mantle?
*/
input_float("ggrd_lower_depth_km",&(E->control.ggrd_lower_depth_km),"7000",
E->parallel.me); /* depth, in km, below which
different scaling applies */
input_float("ggrd_lower_scale",&(E->control.ggrd_lower_scale),"1.0",E->parallel.me);
input_float("ggrd_lower_offset",&(E->control.ggrd_lower_offset),"1.0",E->parallel.me);
/* grid name, without the .i.grd suffix */
input_string("ggrd_tinit_gfile",
E->control.ggrd.temp.gfile,"",E->parallel.me); /* grids */
input_string("ggrd_tinit_dfile",
E->control.ggrd.temp.dfile,"",E->parallel.me); /* depth.dat layers of grids*/
/* override temperature boundary condition? */
input_boolean("ggrd_tinit_override_tbc",
&(E->control.ggrd.temp.override_tbc),"off",E->parallel.me);
input_string("ggrd_tinit_prem_file",
E->control.ggrd.temp.prem.model_filename,"hc/prem/prem.dat",
E->parallel.me); /* PREM model filename */
/* non-linear scaling, downweighing negative anomalies? */
input_boolean("ggrd_tinit_nl_scale",&(E->control.ggrd_tinit_nl_scale),"off",E->parallel.me);
#else
fprintf(stderr,"tic_method 4 only works for USE_GGRD compiled code\n");
parallel_process_termination();
#endif
break;
} /* no default needed */
return;
}
int
main(void)
{
int i;
int n;
int t;
int pygen_0_tagF_temp;
int pygen_1_tagF_temp;
int pygen_0_compF_temp;
int pygen_2_tagF_temp;
int pygen_1_compF_temp;
int pygen_0_projF_temp;
int pygen_1_projF_temp;
int pygen_2_compF_temp;
int pygen_0_injF_temp;
int pygen_1_ifexF_temp;
int pygen_3_tagF_temp;
int pygen_3_compF_temp;
int pygen_2_projF_temp;
int pygen_3_projF_temp;
int pygen_4_compF_temp;
int pygen_1_injF_temp;
int pygen_0_ifexF_temp;
int pygen_4_projF_temp;
int pygen_5_projF_temp;
int pygen_0_callF_temp;
int pygen_2_injF_temp;
int pygen_3_ifexF_temp;
int pygen_4_tagF_temp;
int pygen_5_compF_temp;
int pygen_6_projF_temp;
int pygen_7_projF_temp;
int pygen_6_compF_temp;
int pygen_3_injF_temp;
int pygen_2_ifexF_temp;
int pygen_8_projF_temp;
int pygen_9_projF_temp;
int pygen_7_compF_temp;
int pygen_4_injF_temp;
int pygen_2_let_temp;
int pygen_5_tagF_temp;
int pygen_8_compF_temp;
int pygen_10_projF_temp;
int pygen_9_compF_temp;
int pygen_5_ifexF_temp;
int pygen_6_tagF_temp;
int pygen_10_compF_temp;
int pygen_11_projF_temp;
int pygen_11_compF_temp;
int pygen_4_ifexF_temp;
int pygen_1_callF_temp;
int pygen_7_tagF_temp;
int pygen_12_compF_temp;
int pygen_12_projF_temp;
int pygen_13_projF_temp;
int pygen_0_addF_temp;
int pygen_5_injF_temp;
int pygen_7_ifexF_temp;
int pygen_8_tagF_temp;
int pygen_13_compF_temp;
int pygen_14_projF_temp;
int pygen_15_projF_temp;
int pygen_1_addF_temp;
int pygen_6_injF_temp;
int pygen_6_ifexF_temp;
int pygen_16_projF_temp;
int pygen_17_projF_temp;
int pygen_2_callF_temp;
int pygen_7_injF_temp;
int pygen_18_projF_temp;
int pygen_0_usubF_temp;
int pygen_8_injF_temp;
int pygen_0_let_temp;
int pygen_9_tagF_temp;
int pygen_14_compF_temp;
int pygen_19_projF_temp;
int pygen_20_projF_temp;
int pygen_2_addF_temp;
int pygen_9_injF_temp;
int pygen_9_ifexF_temp;
int pygen_10_tagF_temp;
int pygen_15_compF_temp;
int pygen_21_projF_temp;
int pygen_22_projF_temp;
int pygen_3_addF_temp;
int pygen_10_injF_temp;
int pygen_8_ifexF_temp;
int pygen_23_projF_temp;
int pygen_24_projF_temp;
int pygen_3_callF_temp;
int pygen_11_injF_temp;
int pygen_12_injF_temp;
int pygen_1_let_temp;
int pygen_11_tagF_temp;
int pygen_16_compF_temp;
int pygen_25_projF_temp;
int pygen_26_projF_temp;
int pygen_4_addF_temp;
int pygen_13_injF_temp;
int pygen_11_ifexF_temp;
int pygen_12_tagF_temp;
int pygen_17_compF_temp;
int pygen_27_projF_temp;
int pygen_28_projF_temp;
int pygen_5_addF_temp;
int pygen_14_injF_temp;
int pygen_10_ifexF_temp;
int pygen_29_projF_temp;
int pygen_30_projF_temp;
int pygen_4_callF_temp;
int pygen_15_injF_temp;
i = inject_int(0);
n = input_int();
t = inject_int(0);
pygen_0_tagF_temp = tag(i);
pygen_1_tagF_temp = tag(n);
pygen_0_compF_temp = (pygen_0_tagF_temp == pygen_1_tagF_temp);
if (pygen_0_compF_temp) {
pygen_2_tagF_temp = tag(i);
pygen_1_compF_temp = (pygen_2_tagF_temp == 0);
if (pygen_1_compF_temp) {
pygen_0_projF_temp = project_int(i);
pygen_1_projF_temp = project_int(n);
pygen_2_compF_temp = (pygen_0_projF_temp != pygen_1_projF_temp);
pygen_0_injF_temp = inject_bool(pygen_2_compF_temp);
pygen_1_ifexF_temp = pygen_0_injF_temp;
} else {
pygen_3_tagF_temp = tag(i);
pygen_3_compF_temp = (pygen_3_tagF_temp == 1);
if (pygen_3_compF_temp) {
pygen_2_projF_temp = project_bool(i);
pygen_3_projF_temp = project_bool(n);
pygen_4_compF_temp = (pygen_2_projF_temp != pygen_3_projF_temp);
pygen_1_injF_temp = inject_bool(pygen_4_compF_temp);
pygen_0_ifexF_temp = pygen_1_injF_temp;
} else {
pygen_4_projF_temp = project_big(i);
pygen_5_projF_temp = project_big(n);
pygen_0_callF_temp = not_equal(pygen_4_projF_temp, pygen_5_projF_temp);
pygen_2_injF_temp = inject_bool(pygen_0_callF_temp);
pygen_0_ifexF_temp = pygen_2_injF_temp;
}
pygen_1_ifexF_temp = pygen_0_ifexF_temp;
}
pygen_3_ifexF_temp = pygen_1_ifexF_temp;
} else {
pygen_4_tagF_temp = tag(i);
pygen_5_compF_temp = (pygen_4_tagF_temp == 0);
if (pygen_5_compF_temp) {
pygen_6_projF_temp = project_int(i);
pygen_7_projF_temp = project_bool(n);
pygen_6_compF_temp = (pygen_6_projF_temp != pygen_7_projF_temp);
pygen_3_injF_temp = inject_bool(pygen_6_compF_temp);
pygen_2_ifexF_temp = pygen_3_injF_temp;
} else {
pygen_8_projF_temp = project_bool(i);
pygen_9_projF_temp = project_int(n);
pygen_7_compF_temp = (pygen_8_projF_temp != pygen_9_projF_temp);
pygen_4_injF_temp = inject_bool(pygen_7_compF_temp);
pygen_2_ifexF_temp = pygen_4_injF_temp;
}
pygen_3_ifexF_temp = pygen_2_ifexF_temp;
}
pygen_2_let_temp = pygen_3_ifexF_temp;
pygen_5_tagF_temp = tag(pygen_2_let_temp);
pygen_8_compF_temp = (pygen_5_tagF_temp == 0);
if (pygen_8_compF_temp) {
pygen_10_projF_temp = project_int(pygen_2_let_temp);
pygen_9_compF_temp = (0 != pygen_10_projF_temp);
pygen_5_ifexF_temp = pygen_9_compF_temp;
} else {
pygen_6_tagF_temp = tag(pygen_2_let_temp);
pygen_10_compF_temp = (pygen_6_tagF_temp == 1);
if (pygen_10_compF_temp) {
pygen_11_projF_temp = project_bool(pygen_2_let_temp);
pygen_11_compF_temp = (0 != pygen_11_projF_temp);
pygen_4_ifexF_temp = pygen_11_compF_temp;
} else {
pygen_1_callF_temp = is_true(pygen_2_let_temp);
pygen_4_ifexF_temp = pygen_1_callF_temp;
}
pygen_5_ifexF_temp = pygen_4_ifexF_temp;
}
while (pygen_5_ifexF_temp) {
pygen_7_tagF_temp = tag(t);
pygen_12_compF_temp = (pygen_7_tagF_temp == 0);
if (pygen_12_compF_temp) {
pygen_12_projF_temp = project_int(t);
pygen_13_projF_temp = project_int(i);
pygen_0_addF_temp = (pygen_12_projF_temp + pygen_13_projF_temp);
pygen_5_injF_temp = inject_int(pygen_0_addF_temp);
pygen_7_ifexF_temp = pygen_5_injF_temp;
} else {
pygen_8_tagF_temp = tag(t);
pygen_13_compF_temp = (pygen_8_tagF_temp == 1);
if (pygen_13_compF_temp) {
pygen_14_projF_temp = project_bool(t);
pygen_15_projF_temp = project_bool(i);
pygen_1_addF_temp = (pygen_14_projF_temp + pygen_15_projF_temp);
pygen_6_injF_temp = inject_int(pygen_1_addF_temp);
pygen_6_ifexF_temp = pygen_6_injF_temp;
} else {
pygen_16_projF_temp = project_big(t);
pygen_17_projF_temp = project_big(i);
pygen_2_callF_temp = add(pygen_16_projF_temp, pygen_17_projF_temp);
pygen_7_injF_temp = inject_big(pygen_2_callF_temp);
pygen_6_ifexF_temp = pygen_7_injF_temp;
}
pygen_7_ifexF_temp = pygen_6_ifexF_temp;
}
t = pygen_7_ifexF_temp;
pygen_18_projF_temp = project_int(i);
pygen_0_usubF_temp = -(pygen_18_projF_temp);
pygen_8_injF_temp = inject_int(pygen_0_usubF_temp);
pygen_0_let_temp = pygen_8_injF_temp;
pygen_9_tagF_temp = tag(pygen_0_let_temp);
pygen_14_compF_temp = (pygen_9_tagF_temp == 0);
if (pygen_14_compF_temp) {
pygen_19_projF_temp = project_int(pygen_0_let_temp);
pygen_20_projF_temp = project_int(t);
pygen_2_addF_temp = (pygen_19_projF_temp + pygen_20_projF_temp);
pygen_9_injF_temp = inject_int(pygen_2_addF_temp);
pygen_9_ifexF_temp = pygen_9_injF_temp;
} else {
pygen_10_tagF_temp = tag(pygen_0_let_temp);
pygen_15_compF_temp = (pygen_10_tagF_temp == 1);
if (pygen_15_compF_temp) {
pygen_21_projF_temp = project_bool(pygen_0_let_temp);
pygen_22_projF_temp = project_bool(t);
pygen_3_addF_temp = (pygen_21_projF_temp + pygen_22_projF_temp);
pygen_10_injF_temp = inject_int(pygen_3_addF_temp);
pygen_8_ifexF_temp = pygen_10_injF_temp;
} else {
pygen_23_projF_temp = project_big(pygen_0_let_temp);
pygen_24_projF_temp = project_big(t);
pygen_3_callF_temp = add(pygen_23_projF_temp, pygen_24_projF_temp);
pygen_11_injF_temp = inject_big(pygen_3_callF_temp);
pygen_8_ifexF_temp = pygen_11_injF_temp;
}
pygen_9_ifexF_temp = pygen_8_ifexF_temp;
}
t = pygen_9_ifexF_temp;
pygen_12_injF_temp = inject_int(1);
pygen_1_let_temp = pygen_12_injF_temp;
pygen_11_tagF_temp = tag(i);
pygen_16_compF_temp = (pygen_11_tagF_temp == 0);
if (pygen_16_compF_temp) {
pygen_25_projF_temp = project_int(i);
pygen_26_projF_temp = project_int(pygen_1_let_temp);
pygen_4_addF_temp = (pygen_25_projF_temp + pygen_26_projF_temp);
pygen_13_injF_temp = inject_int(pygen_4_addF_temp);
pygen_11_ifexF_temp = pygen_13_injF_temp;
} else {
pygen_12_tagF_temp = tag(i);
pygen_17_compF_temp = (pygen_12_tagF_temp == 1);
if (pygen_17_compF_temp) {
pygen_27_projF_temp = project_bool(i);
pygen_28_projF_temp = project_bool(pygen_1_let_temp);
pygen_5_addF_temp = (pygen_27_projF_temp + pygen_28_projF_temp);
pygen_14_injF_temp = inject_int(pygen_5_addF_temp);
pygen_10_ifexF_temp = pygen_14_injF_temp;
} else {
pygen_29_projF_temp = project_big(i);
pygen_30_projF_temp = project_big(pygen_1_let_temp);
pygen_4_callF_temp = add(pygen_29_projF_temp, pygen_30_projF_temp);
pygen_15_injF_temp = inject_big(pygen_4_callF_temp);
pygen_10_ifexF_temp = pygen_15_injF_temp;
}
pygen_11_ifexF_temp = pygen_10_ifexF_temp;
}
i = pygen_11_ifexF_temp;
pygen_0_tagF_temp = tag(i);
pygen_1_tagF_temp = tag(n);
pygen_0_compF_temp = (pygen_0_tagF_temp == pygen_1_tagF_temp);
if (pygen_0_compF_temp) {
pygen_2_tagF_temp = tag(i);
pygen_1_compF_temp = (pygen_2_tagF_temp == 0);
if (pygen_1_compF_temp) {
pygen_0_projF_temp = project_int(i);
pygen_1_projF_temp = project_int(n);
pygen_2_compF_temp = (pygen_0_projF_temp != pygen_1_projF_temp);
pygen_0_injF_temp = inject_bool(pygen_2_compF_temp);
pygen_1_ifexF_temp = pygen_0_injF_temp;
} else {
pygen_3_tagF_temp = tag(i);
pygen_3_compF_temp = (pygen_3_tagF_temp == 1);
if (pygen_3_compF_temp) {
pygen_2_projF_temp = project_bool(i);
pygen_3_projF_temp = project_bool(n);
pygen_4_compF_temp = (pygen_2_projF_temp != pygen_3_projF_temp);
pygen_1_injF_temp = inject_bool(pygen_4_compF_temp);
pygen_0_ifexF_temp = pygen_1_injF_temp;
} else {
pygen_4_projF_temp = project_big(i);
pygen_5_projF_temp = project_big(n);
pygen_0_callF_temp = not_equal(pygen_4_projF_temp, pygen_5_projF_temp);
pygen_2_injF_temp = inject_bool(pygen_0_callF_temp);
pygen_0_ifexF_temp = pygen_2_injF_temp;
}
pygen_1_ifexF_temp = pygen_0_ifexF_temp;
}
pygen_3_ifexF_temp = pygen_1_ifexF_temp;
} else {
pygen_4_tagF_temp = tag(i);
pygen_5_compF_temp = (pygen_4_tagF_temp == 0);
if (pygen_5_compF_temp) {
pygen_6_projF_temp = project_int(i);
pygen_7_projF_temp = project_bool(n);
pygen_6_compF_temp = (pygen_6_projF_temp != pygen_7_projF_temp);
pygen_3_injF_temp = inject_bool(pygen_6_compF_temp);
pygen_2_ifexF_temp = pygen_3_injF_temp;
} else {
pygen_8_projF_temp = project_bool(i);
pygen_9_projF_temp = project_int(n);
pygen_7_compF_temp = (pygen_8_projF_temp != pygen_9_projF_temp);
pygen_4_injF_temp = inject_bool(pygen_7_compF_temp);
pygen_2_ifexF_temp = pygen_4_injF_temp;
}
pygen_3_ifexF_temp = pygen_2_ifexF_temp;
}
pygen_2_let_temp = pygen_3_ifexF_temp;
pygen_5_tagF_temp = tag(pygen_2_let_temp);
pygen_8_compF_temp = (pygen_5_tagF_temp == 0);
if (pygen_8_compF_temp) {
pygen_10_projF_temp = project_int(pygen_2_let_temp);
pygen_9_compF_temp = (0 != pygen_10_projF_temp);
pygen_5_ifexF_temp = pygen_9_compF_temp;
} else {
pygen_6_tagF_temp = tag(pygen_2_let_temp);
pygen_10_compF_temp = (pygen_6_tagF_temp == 1);
if (pygen_10_compF_temp) {
pygen_11_projF_temp = project_bool(pygen_2_let_temp);
pygen_11_compF_temp = (0 != pygen_11_projF_temp);
pygen_4_ifexF_temp = pygen_11_compF_temp;
} else {
pygen_1_callF_temp = is_true(pygen_2_let_temp);
pygen_4_ifexF_temp = pygen_1_callF_temp;
}
pygen_5_ifexF_temp = pygen_4_ifexF_temp;
}
}
print_any(t);
}
void composition_input(struct All_variables *E)
{
int i;
int m = E->parallel.me;
input_boolean("CDEPV",&(E->viscosity.CDEPV),"off",m);
E->composition.icompositional_rheology = E->viscosity.CDEPV;
input_boolean("chemical_buoyancy",
&(E->composition.ichemical_buoyancy),
"1,0,nomax",m);
if (E->control.tracer &&
(E->composition.ichemical_buoyancy ||
E->composition.icompositional_rheology)) {
/* ibuoy_type=0 (absolute method) */
/* ibuoy_type=1 (ratio method) */
input_int("buoy_type",&(E->composition.ibuoy_type),"1,0,nomax",m);
/* if (E->composition.ibuoy_type!=1) {
fprintf(stderr,"Terror-Sorry, only ratio method allowed now\n");
fflush(stderr);
parallel_process_termination();
} */
if (E->composition.ibuoy_type==0)
E->composition.ncomp = E->trace.nflavors;
else if (E->composition.ibuoy_type==1)
E->composition.ncomp = E->trace.nflavors - 1;
E->composition.buoyancy_ratio = (double*) malloc(E->composition.ncomp
*sizeof(double));
/* default values .... */
for (i=0; i<E->composition.ncomp; i++)
E->composition.buoyancy_ratio[i] = 1.0;
input_double_vector("buoyancy_ratio", E->composition.ncomp,
E->composition.buoyancy_ratio,m);
}
/* compositional rheology */
/* what was this about? there is a CDEPV for compositional rheology
i moved this to the top so that cdepv = on would activate tracers
TWB */
/* icompositional_rheology=0 (off) */
/* icompositional_rheology=1 (on) */
//E->composition.icompositional_rheology = 0;
/*
input_int("compositional_rheology",
&(E->composition.icompositional_rheology),"1,0,nomax",m);
if (E->composition.icompositional_rheology==1) {
input_double("compositional_prefactor",
&(E->composition.compositional_rheology_prefactor),
"1.0",m);
}
*/
return;
}
int main()
{
pyobj x = input_int();
print_any(x);
}
