char *parse_conf_line(char *line,char *field)
{
line += strlen(field);
for (; *line!='='&&*line!=0; line++)
break;
if ( *line == 0 )
return(0);
if ( *line == '=' )
line++;
stripstr(line,strlen(line));
if ( Debuglevel > 0 )
printf("[%s]\n",line);
return(clonestr(line));
}
int FMDSread(FILE* fp, Para* q)
{
char buf[BUFSIZE];
int i;
FMDSInternals* qint;
qint = q->internals = (FMDSInternals*) malloc(sizeof(FMDSInternals));
do
fgets(buf, BUFSIZE, fp);
while (strncmp(buf, "<Para ", 5) && !feof(fp));
if (feof(fp)) {
fprintf(stderr, "did't find <Para ...>\n");
return -1;
}
char Pname[80], qname[80];
sscanf(buf, "<Para %s %s>", Pname, qname);
if (strcmp(Pname, "FMDS")) {
fprintf(stderr, "not a FMDS parameter set\n");
return -1;
}
strcpy(q->name, stripstr(qname, ">"));
fgets(buf, BUFSIZE, fp);
if (sscanf(buf, "%d %d %d", &q->A, &q->Z, &q->N) != 3) {
fprintf(stderr, "malformed line\n>>%s<<\n", stripstr(buf, "\n"));
return -1;
}
if (q->A != q->Z+q->N) {
fprintf(stderr, "proton and neutron number don't sum up in line\n>>%s<<\n",
stripstr(buf, "\n"));
return -1;
}
fgets(buf, BUFSIZE, fp);
if (sscanf(buf, "%d", &q->ngauss) != 1) {
fprintf(stderr, "malformed line\n>>%s<<\n", stripstr(buf, "\n"));
return -1;
}
qint->idx = (int*) malloc(q->A*sizeof(int));
qint->ng = (int*) malloc(q->A*sizeof(int));
qint->xi = (int*) malloc(q->A*sizeof(int));
qint->chi = (int*) malloc(q->ngauss*sizeof(int));
for (i=0; i<q->A; i++) {
qint->idx[i] = 0;
qint->ng[i] = 0;
qint->xi[i] = 0;
}
for (i=0; i<q->ngauss; i++)
qint->chi[i] = 0;
q->n = q->ngauss*NGAUSS;
q->x = (double*) malloc(q->n*sizeof(double));
int k, xi, chi;
double are, aim, b0re, b0im, b1re, b1im, b2re, b2im;
for (i=0; i<q->ngauss; i++) {
fgets(buf, BUFSIZE, fp);
if (sscanf(buf, "%d %d %d "
"(%lf,%lf) (%lf,%lf) (%lf,%lf) (%lf,%lf)",
&k, &xi, &chi,
&are, &aim, &b0re, &b0im, &b1re, &b1im, &b2re, &b2im) != 11) {
fprintf(stderr, "malformed line\n>>%s<<\n",
stripstr(buf,"\n"));
return -1;
}
qint->ng[k]++;
qint->xi[k] = xi;
qint->chi[i] = chi;
q->x[i*NGAUSS+ 0] = are; q->x[i*NGAUSS+ 1] = aim;
q->x[i*NGAUSS+ 2] = b0re; q->x[i*NGAUSS+ 3] = b0im;
q->x[i*NGAUSS+ 4] = b1re; q->x[i*NGAUSS+ 5] = b1im;
q->x[i*NGAUSS+ 6] = b2re; q->x[i*NGAUSS+ 7] = b2im;
}
for (k=1; k<q->A; k++)
qint->idx[k] = qint->idx[k-1]+qint->ng[k-1];
fgets(buf, BUFSIZE, fp);
if (strncmp(buf, "</Para>", 7)) {
fprintf(stderr, "didn't find </Para>\n");
return -1;
}
return 0;
}
int main(int argc, char* argv[])
{
createinfo(argc, argv);
// enough arguments ?
if (argc < 2) {
fprintf(stderr, "\nusage: %s [OPTIONS] mcstate"
"\n -j J 2j of state"
"\n -p +1|-1 parity of state"
"\n -l MULTIPOLE multipole density"
"\n -a INDEX index of state"
"\n -q QMAX calculate to max momentum"
"\n -n NPOINTS number of points"
"\n -P NALPHA-NBETA number of angles"
"\n -r with recoil\n",
argv[0]);
exit(-1);
}
int hermit = 0;
// formfactor parameters
int npoints = 51;
double qmax = 5.0;
int nalpha = 5;
int ncosb = 4;
int recoil = 0;
int l=0;
// grid in coordinate space
double rmax = 15.0;
double deltar = 0.05;
int npointsr = (int) (rmax/deltar) + 1;
// project to this state
int j=-1, pi=-1, alpha=0;
/* manage command-line options */
char c; char* projparas;
while ((c = getopt(argc, argv, "j:p:a:l:q:n:P:r")) != -1)
switch (c) {
case 'j':
j = atoi(optarg);
break;
case 'p':
pi = (atoi(optarg) == -1 ? 1 : 0);
break;
case 'a':
alpha = atoi(optarg);
break;
case 'l':
l = atoi(optarg);
break;
case 'q':
qmax = atof(optarg);
break;
case 'n':
npoints = atoi(optarg);
break;
case 'P':
projparas = optarg;
char* ang = strtok(projparas, "-");
nalpha = atoi(ang);
ang = strtok(NULL, "-");
ncosb = atoi(ang);
break;
case 'r':
recoil = 1;
break;
}
char* mcstatefile = argv[optind];
char** mbfile;
// open multiconfigfile
Projection P;
SlaterDet* Q;
Symmetry* S;
Eigenstates E;
int n;
if (readMulticonfigfile(mcstatefile, &mbfile, &P, &Q, &S, &E, &n)) {
fprintf(stderr, "couldn't read %s\n", mcstatefile);
exit(-1);
}
FormfactorPara FfP = {
qmax : qmax,
npoints : npoints,
nalpha : nalpha,
ncosb : ncosb,
recoil : recoil
};
int i;
int a,b;
// J or Pi unset
if (j == -1) j = (Q[0].A % 2 ? 1 : 0);
if (pi == -1) pi = (Q[0].A % 2 ? 1 : 0);
fprintf(stderr, "J: %d, Pi: %c1, alpha: %d\n", j, pi ? '-' : '+', alpha);
// calculate certain multipole
int nmulti = 1;
int multi[NMULTIPOLES] = {0, 0, 0, 0};
multi[l] = 1;
// Project formfactor on angular momentum
initOpFormfactors(&FfP);
void* ffactorme[NMULTIPOLES][n*n];
// read or calculate matrix elements
for (b=0; b<n; b++)
for (a=0; a<n; a++) {
for (i=0; i<NMULTIPOLES; i++)
if (multi[i]) {
ffactorme[i][a+b*n] = initprojectedMBME(&P, &OpMultipoleFormfactor[i]);
if (readprojectedMBMEfromFile(mbfile[a], mbfile[b], &P,
&OpMultipoleFormfactor[i], S[a], S[b],
ffactorme[i][a+b*n])) {
calcprojectedMBME(&P, &OpMultipoleFormfactor[i], &Q[a], &Q[b],
S[a], S[b], ffactorme[i][a+b*n]);
writeprojectedMBMEtoFile(mbfile[a], mbfile[b], &P,
&OpMultipoleFormfactor[i], S[a], S[b],
ffactorme[i][a+b*n]);
}
}
}
if (hermit) {
for (i=0; i<NMULTIPOLES; i++)
if (multi[i])
hermitizeprojectedMBME(&P, &OpMultipoleFormfactor[i], ffactorme[i], n);
}
fprintf(stderr, "calculate expectation values\n");
// calculate static formfactors
void* ffactorexp[NMULTIPOLES];
for (i=0; i<NMULTIPOLES; i++)
if (multi[i]) {
ffactorexp[i] = initprojectedVectornull(&P, &OpMultipoleFormfactor[i], n);
calcexpectprojectedMBMEipj(&P, &OpMultipoleFormfactor[i], ffactorme[i],
S, &E, j, pi, alpha,
ffactorexp[i]);
}
// output
char outfile[255];
snprintf(outfile, 255, "%s-%s.%d.matterdens",
stripstr(mcstatefile, ".states"), AngmomtoStr(j, pi), alpha);
// write densities to data files
char datafile[255];
FILE *datafp;
snprintf(datafile, 255, "%s-%d--%05.2f-%d-%d-%d%s.data",
outfile, l,
qmax, npoints, nalpha, ncosb, recoil ? "-recoil" : "");
if (!(datafp = fopen(datafile, "w"))) {
fprintf(stderr, "couldn't open %s for writing\n", datafile);
exit(-1);
}
for (i=0; i<NMULTIPOLES; i++)
if (multi[i]) {
writeMatterDensities(datafp, &P, &FfP,
rmax, npointsr,
Q[0].A, i,
j, pi, alpha, ffactorexp[i], &E);
}
fclose(datafp);
return 0;
}
int main(int argc, char* argv[])
{
createinfo(argc, argv);
// enough arguments ?
if (argc < 2) {
fprintf(stderr, "\nusage: %s [OPTIONS] mcstate"
"\n -j J 2j of state"
"\n -p +1|-1 parity of state"
"\n -a INDEX index of state"
"\n -q QMAX calculate to max separation"
"\n -n NPOINTS number of points\n",
argv[0]);
exit(-1);
}
int hermit = 0;
// grid in coordinate space
int npoints = 51;
double qmax = 10.0;
// project to this state
int j=-1, pi=-1, alpha=0;
/* manage command-line options */
char c;
while ((c = getopt(argc, argv, "j:p:a:q:n:")) != -1)
switch (c) {
case 'j':
j = atoi(optarg);
break;
case 'p':
pi = (atoi(optarg) == -1 ? 1 : 0);
break;
case 'a':
alpha = atoi(optarg);
break;
case 'q':
qmax = atof(optarg);
break;
case 'n':
npoints = atoi(optarg);
break;
}
char* mcstatefile = argv[optind];
char** mbfile;
// open multiconfigfile
Projection P;
SlaterDet* Q;
Symmetry* S;
Eigenstates E;
int n;
if (readMulticonfigfile(mcstatefile, &mbfile, &P, &Q, &S, &E, &n)) {
fprintf(stderr, "couldn't read %s\n", mcstatefile);
exit(-1);
}
TBDensQPara TBDP = {
qmax : qmax,
npoints : npoints
};
int a,b;
// J or Pi unset
if (j == -1) j = (Q[0].A % 2 ? 1 : 0);
if (pi == -1) pi = (Q[0].A % 2 ? 1 : 0);
fprintf(stderr, "J: %d, Pi: %c1, alpha: %d\n", j, pi ? '-' : '+', alpha);
// initialize operator
initOpTwoBodyDensityQ(&TBDP);
void* tbdensme[n*n];
// read or calculate matrix elements
for (b=0; b<n; b++)
for (a=0; a<n; a++) {
tbdensme[a+b*n] = initprojectedMBME(&P, &OpTwoBodyDensityQ);
if (readprojectedMBMEfromFile(mbfile[a], mbfile[b], &P,
&OpTwoBodyDensityQ, S[a], S[b],
tbdensme[a+b*n])) {
calcprojectedMBME(&P, &OpTwoBodyDensityQ, &Q[a], &Q[b],
S[a], S[b], tbdensme[a+b*n]);
writeprojectedMBMEtoFile(mbfile[a], mbfile[b], &P,
&OpTwoBodyDensityQ, S[a], S[b],
tbdensme[a+b*n]);
}
}
if (hermit) {
hermitizeprojectedMBME(&P, &OpTwoBodyDensityQ, tbdensme, n);
}
fprintf(stderr, "calculate expectation values\n");
// expectation values
void* tbdensexp;
tbdensexp = initprojectedVectornull(&P, &OpTwoBodyDensityQ, n);
calcexpectprojectedMBMEipj(&P, &OpTwoBodyDensityQ, tbdensme,
S, &E, j, pi, alpha,
tbdensexp);
// output
char outfile[255];
snprintf(outfile, 255, "%s-%s.%d.tbdensmom",
stripstr(mcstatefile, ".states"), AngmomtoStr(j, pi), alpha);
// write densities to file
char datafile[255];
FILE *datafp;
snprintf(datafile, 255, "%s--%05.2f-%d.data",
outfile,
qmax, npoints);
if (!(datafp = fopen(datafile, "w"))) {
fprintf(stderr, "couldn't open %s for writing\n", datafile);
exit(-1);
}
writeTBDensQ(datafp, &P, &TBDP,
j, pi, alpha, tbdensexp, &E);
fclose(datafp);
return 0;
}
int main(int argc, char* argv[])
{
createinfo(argc, argv);
/* enough arguments ? */
if (argc < 2) {
fprintf(stderr, "\nusage: %s [OPTIONS] mcstate"
"\n -A show all eigenstates\n", argv[0]);
exit(-1);
}
int all=0;
int hermit=0;
char c;
/* manage command-line options */
while ((c = getopt(argc, argv, "A")) != -1)
switch (c) {
case 'A':
all=1;
break;
}
char* mcstatefile = argv[optind];
char** mbfile;
// open multiconfigfile
Projection P;
SlaterDet* Q;
Symmetry* S;
Eigenstates E;
int n;
readMulticonfigfile(mcstatefile, &mbfile, &P, &Q, &S, &E, &n);
void* radiime[n*n];
int a,b;
for (b=0; b<n; b++)
for (a=0; a<n; a++) {
radiime[a+b*n] = initprojectedMBME(&P, &OpSDRadii);
}
// read or calculate matrix elements
for (b=0; b<n; b++)
for (a=0; a<n; a++) {
if (readprojectedMBMEfromFile(mbfile[a], mbfile[b], &P,
&OpSDRadii, S[a], S[b],
radiime[a+b*n])) {
calcprojectedMBME(&P, &OpSDRadii, &Q[a], &Q[b],
S[a], S[b], radiime[a+b*n]);
writeprojectedMBMEtoFile(mbfile[a], mbfile[b], &P,
&OpSDRadii, S[a], S[b],
radiime[a+b*n]);
}
}
if (hermit) {
hermitizeprojectedMBME(&P, &OpSDRadii, radiime, n);
}
fprintf(stderr, "calculate expectation values\n");
// calculate expectation values
void* radiiexp = initprojectedVector(&P, &OpSDRadii, n);
calcexpectprojectedMBME(&P, &OpSDRadii, radiime, S, &E, radiiexp);
// output
char outfile[255];
char tostrip[255];
FILE* outfp;
snprintf(tostrip, 255, ".states");
snprintf(outfile, 255, "%s.radii", stripstr(mcstatefile, tostrip));
if (!(outfp = fopen(outfile, "w"))) {
fprintf(stderr, "couldn't open %s for writing\n", outfile);
goto cleanup;
}
fprintinfo(outfp);
fprintProjectinfo(outfp, &P);
writeprojectedSDRadii(outfp, Q, &P, radiiexp, &E);
fclose(outfp);
cleanup:
return 0;
}
int main(int argc, char* argv[])
{
createinfo(argc, argv);
/* enough arguments ? */
if (argc < 2) {
fprintf(stderr, "\nusage: %s [OPTIONS] mcstatefin mcstateini"
"\n -a show all eigenstates\n", argv[0]);
exit(-1);
}
int all=0;
int hermit=0;
char c;
/* manage command-line options */
while ((c = getopt(argc, argv, "a")) != -1)
switch (c) {
case 'a':
all=1;
break;
}
char* mcstatefilefin = argv[optind];
char* mcstatefileini = argv[optind+1];
char** mbfilefin; char** mbfileini;
// open multiconfigfile
Projection P;
SlaterDet *Qfin, *Qini;
Symmetry *Sfin, *Sini;
Eigenstates Efin, Eini;
int nfin, nini;
readMulticonfigfile(mcstatefileini, &mbfileini, &P, &Qini, &Sini, &Eini, &nini);
readMulticonfigfile(mcstatefilefin, &mbfilefin, &P, &Qfin, &Sfin, &Efin, &nfin);
int direction;
if (Qfin[0].Z - Qini[0].Z == 1) {
fprintf(stderr, "GT+ transitions");
direction = +1;
}
if (Qfin[0].Z - Qini[0].Z == -1) {
fprintf(stderr, "GT- transitions");
direction = -1;
}
ManyBodyOperator OpGT;
if (direction == +1)
OpGT = OpGTplus;
if (direction == -1)
OpGT = OpGTminus;
int a,b;
void** gtme[nfin*nini];
for (b=0; b<nini; b++)
for (a=0; a<nfin; a++)
gtme[a+b*nfin] = initprojectedMBME(&P, &OpGT);
// read or calculate matrix elements
for (b=0; b<nini; b++)
for (a=0; a<nfin; a++)
if (readprojectedMBMEfromFile(mbfilefin[a], mbfileini[b], &P,
&OpGT, Sfin[a], Sini[b], gtme[a+b*nfin])) {
calcprojectedMBME(&P, &OpGT, &Qfin[a], &Qini[b], Sfin[a], Sini[b],
gtme[a+b*nfin]);
writeprojectedMBMEtoFile(mbfilefin[a], mbfileini[b], &P,
&OpGT, Sfin[a], Sini[b], gtme[a+b*nfin]);
}
fprintf(stderr, "calculate transition strengths\n");
void**** gttrans = initprojectedtransitionVector(&P, &OpGT, nfin, nini);
calctransitionprojectedMBME(&P, &OpGT, gtme, Sfin, Sini, &Efin, &Eini, gttrans);
// output
char outfile[511];
char tostrip[255];
FILE* outfp;
snprintf(tostrip, 255, ".states");
snprintf(outfile, 255, "%s--%s.transgt",
stripstr(mcstatefilefin, tostrip), stripstr(mcstatefileini, tostrip));
if (!(outfp = fopen(outfile, "w"))) {
fprintf(stderr, "couldn't open %s for writing\n", outfile);
goto cleanup;
}
fprintinfo(outfp);
fprintProjectinfo(outfp, &P);
if (direction == +1)
writeprojectedtransitionGTplus(outfp, &P, gttrans, &Efin, &Eini);
else
writeprojectedtransitionGTminus(outfp, &P, gttrans, &Efin, &Eini);
fclose(outfp);
cleanup:
return 0;
}
