diff --git a/src/include/tra_subs.h b/src/include/tra_subs.h
index 6e1ebe05a8087bdedd7f56e2beca690508570333..a030cefab49ae4d25736a271dd1383d08e11f756 100644
--- a/src/include/tra_subs.h
+++ b/src/include/tra_subs.h
@@ -7,12 +7,58 @@
#endif
//Externally defined subroutines
+extern std::complex<double> dconjg(std::complex<double> z);
extern void sphar(
double cosrth, double sinrth, double cosrph, double sinrph,
int ll, std::complex<double> *ylm
);
//End of externally defined subroutines
+/*! C++ porting of PWMALP
+ *
+ * \param w: Matrix of complex. QUESTION: definition?
+ * \param up: `double *`
+ * \param un: `double *`
+ * \param ylm: Vector of complex
+ * \param lw: `int`
+ */
+void pwmalp(std::complex<double> **w, double *up, double *un, std::complex<double> *ylm, int lw) {
+ std::complex<double> cp1, cm1, cp2, cm2, cl;
+ const std::complex<double> uim(0.0, 1.0);
+ const double four_pi = acos(0.0) * 8.0;
+ const int nlwm = lw * (lw + 2);
+ cm1 = 0.5 * std::complex<double>(up[0], up[1]);
+ cp1 = 0.5 * std::complex<double>(up[0], -up[1]);
+ double cz1 = up[2];
+ cm2 = 0.5 * std::complex<double>(un[0], un[1]);
+ cp2 = 0.5 * std::complex<double>(un[0], -un[1]);
+ double cz2 =un[2];
+ for (int l20 = 1; l20 <= lw; l20++) {
+ int lf = l20 + 1;
+ int lftl = lf * l20;
+ double x = 1.0 * lftl;
+ std::complex<double> cl = std::pow((four_pi / sqrt(x)) * uim, 1.0 * l20);
+ int mv = l20 + lf;
+ int m = -lf;
+ for (int mf20 = 1; mf20 <= mv; mf20++) {
+ m++;
+ int k = lftl + m;
+ x = 1.0 * (lftl - m * (m + 1));
+ double cp = sqrt(x);
+ x = 1.0 * (lftl - m * (m - 1));
+ double cm = sqrt(x);
+ double cz = 1.0 * m;
+ w[k - 1][0] = dconjg(cp1 * cp * ylm[k + 1] + cm1 * cm * ylm[k - 1] + cz1 * cz * ylm[k]) * cl;
+ w[k - 1][1] = dconjg(cp2 * cp * ylm[k + 1] + cm2 * cm * ylm[k - 1] + cz2 * cz * ylm[k]) * cl;
+ } // mf20 loop
+ } // l20 loop
+ for (int k30 = 0; k30 < nlwm; k30++) {
+ int i = k30 + nlwm;
+ w[i][0] = uim * w[k30][1];
+ w[i][1] = -uim * w[k30][0];
+ } // k30 loop
+}
+
/*! C++ porting of WAMFF
*
* \param wk: Vector of complex. QUESTION: definition?
@@ -103,6 +149,7 @@ void wamff(
un[1] = cph;
un[2] = 0.0;
// Would call PWMALP(W,UP,UN,YLM,LM)
+ pwmalp(w, up, un, ylm, lm);
double apfa = sth * apfafa;
if (spd > 0.0) {
double sthl = sth * rir;
@@ -206,7 +253,7 @@ void frfmer(
double vkn = sqrt(sqn);
if (vkn <= vknmx) {
double vkz = sqrt(sq - sqn);
- // Would call WAMFF(WK,VKX,VKY,VKZ,LE,APFAFA,TRA,SPD,RIR,FTCN,LMODE,PMF)
+ wamff(wk, vkx, vky, vkz, le, apfafa, tra, spd, rir, ftcn, lmode, pmf);
for (int j = 0; j < nlemt; j++) {
double vreal = wk[j].real();
double vimag = wk[j].imag();
diff --git a/src/trapping/frfme.cpp b/src/trapping/frfme.cpp
index 5eaf03eeb109f09066773e568b400efa22c1f604..f8396cce718bc5a25668b111d541f9e3056c41e0 100644
--- a/src/trapping/frfme.cpp
+++ b/src/trapping/frfme.cpp
@@ -24,12 +24,15 @@ using namespace std;
int main() {
string data_file = "../../test_data/trapping/DFRFME";
string output_path = ".";
+ string tfrfme_name = output_path + "/c_TFRFME";
+ fstream tfrfme;
char namef[7];
char more;
double *xv = NULL, *yv = NULL, *zv = NULL;
double *vkv = NULL, **vkzm = NULL;
complex<double> *wk = NULL, **w = NULL, **wsum = NULL;
const complex<double> cc0(0.0, 0.0);
+ const complex<double> uim(0.0, 1.0);
int line_count = 0, last_read_line = 0;
regex re = regex("-?[0-9]+");
string *file_lines = load_file(data_file, &line_count);
@@ -53,8 +56,7 @@ int main() {
// End of vector size variables
if (jlmf != 1) {
int nxv, nyv, nzv;
- fstream tfrfme;
- tfrfme.open("c_TFRFME", ios::in | ios::binary);
+ tfrfme.open(tfrfme_name, ios::in | ios::binary);
if (tfrfme.is_open()) {
tfrfme.read(reinterpret_cast<char *>(&lmode), sizeof(int));
tfrfme.read(reinterpret_cast<char *>(&lm), sizeof(int));
@@ -79,7 +81,7 @@ int main() {
fstream temptape2;
temptape2.open("c_TEMPTAPE2", ios::in | ios::binary);
if (temptape2.is_open()) {
- vkv = new double[nkv]();
+ //vkv = new double[nkv]();
for (int jx = 0; jx < nkv; jx++) temptape2.read(reinterpret_cast<char *>(&(vkv[jx])), sizeof(double));
vkzm = new double*[nkv];
vkzm_size = nkv;
@@ -106,9 +108,6 @@ int main() {
} else {
printf("ERROR: could not open TEMPTAPE2 file.\n");
}
- wsum = new complex<double>*[nlmmt];
- wsum_size = nlmmt;
- for (int wsi = 0; wsi < jlmf - 1; wsi++) wsum[wsi] = new complex<double>[nrvc]();
for (int ixyz12 = 0; ixyz12 < nrvc; ixyz12++) {
for (int j12 = 0; j12 < jlmf - 1; j12++) {
double vreal, vimag;
@@ -220,8 +219,6 @@ int main() {
// label 22
nlmmt = lm * (lm + 2) * 2;
nks = nksh * 2;
- //wsum = new complex<double>*[nlmmt];
- wsum_size = nlmmt;
nkv = nks + 1;
double vkm = vk * exri;
vknmx = vk * an;
@@ -259,14 +256,15 @@ int main() {
} // i27 loop
int nrvc = nxv * nyv * nzv;
int nkshpo = nksh + 1;
+ wsum = new complex<double>*[nlmmt];
+ wsum_size = nlmmt;
+ for (int wsi = 0; wsi < nlmmt; wsi++) wsum[wsi] = new complex<double>[nrvc]();
vkv = new double[nkv]();
// vkv[nksh] = 0.0;
for (int i28 = nkshpo; i28 <= nks; i28++) {
vkv[i28] = vkv[i28 - 1] + delk;
vkv[nkv - i28 - 1] = -vkv[i28];
} // i28 loop
- fstream tfrfme;
- string tfrfme_name = output_path + "/c_TFRFME";
tfrfme.open(tfrfme_name.c_str(), ios::out | ios::binary);
if (tfrfme.is_open()) {
tfrfme.write(reinterpret_cast<char *>(&lmode), sizeof(int));
@@ -297,7 +295,6 @@ int main() {
for (int jx = 0; jx < nkv; jx++)
temptape2.write(reinterpret_cast<char *>(&(vkv[jx])), sizeof(double));
frfmer(nkv, vkm, vkv, vknmx, apfafa, tra, spd, rir, ftcn, lm, lmode, pmf, temptape1, temptape2);
- temptape1.write(reinterpret_cast<char *>(&apfafa), sizeof(double)); // Place-holder
temptape1.close();
temptape2.write(reinterpret_cast<char *>(&apfafa), sizeof(double));
temptape2.write(reinterpret_cast<char *>(&pmf), sizeof(double));
@@ -313,7 +310,103 @@ int main() {
temptape2.write(reinterpret_cast<char *>(&nlmmt), sizeof(int));
temptape2.write(reinterpret_cast<char *>(&nrvc), sizeof(int));
temptape2.close();
+ temptape2.open("c_TEMPTAPE2", ios::in | ios::binary);
+ vkv = new double[nkv]();
+ for (int jx = 0; jx < nkv; jx++)
+ temptape2.read(reinterpret_cast<char *>(&(vkv[jx])), sizeof(double));
+ vkzm = new double*[nkv];
+ vkzm_size = nkv;
+ for (int vki = 0; vki < nkv; vki++) vkzm[vki] = new double[nkv]();
+ for (int jy40 = 0; jy40 < nkv; jy40++) {
+ for (int jx40 = 0; jx40 < nkv; jx40++)
+ temptape2.read(reinterpret_cast<char *>(&(vkzm[jx40][jy40])), sizeof(double));
+ } // jy40 loop
+ temptape2.close();
+ wk = new complex<double>[nlmmt];
+ w = new complex<double>*[nkv];
+ for (int wi = 0; wi < nkv; wi++) w[wi] = new complex<double>[nkv]();
+ for (int j80 = jlmf - 1; j80 < jlml; j80++) {
+ temptape1.open("c_TEMPTAPE1", ios::in | ios::binary);
+ for (int jy50 = 0; jy50 < nkv; jy50++) {
+ for (int jx50 = 0; jx50 < nkv; jx50++) {
+ for (int i = 0; i < nlmmt; i++) {
+ double vreal, vimag;
+ temptape1.read(reinterpret_cast<char *>(&vreal), sizeof(double));
+ temptape1.read(reinterpret_cast<char *>(&vimag), sizeof(double));
+ wk[i] = complex<double>(vreal, vimag);
+ }
+ w[jx50][jy50] = wk[j80];
+ } // jx50
+ } // jy50 loop
+ temptape1.close();
+ int ixyz = 0;
+ for (int iz75 = 0; iz75 < nzv; iz75++) {
+ double z = zv[iz75] + frsh;
+ for (int iy70 = 0; iy70 < nyv; iy70++) {
+ double y = yv[iy70];
+ for (int ix65 = 0; ix65 < nxv; ix65++) {
+ double x = xv[ix65];
+ ixyz++;
+ complex<double> sumy = cc0;
+ for (int jy60 = 0; jy60 < nkv; jy60++) {
+ double vky = vkv[jy60];
+ double vkx = vkv[nkv - 1];
+ double vkzf = vkzm[0][jy60];
+ complex<double> phasf = exp(uim * (-vkx * x + vky * y +vkzf * z));
+ double vkzl = vkzm[nkv - 1][jy60];
+ complex<double> phasl = exp(uim * (vkx * x + vky * y + vkzl * z));
+ complex<double> sumx = 0.5 * (w[0][jy60] * phasf + w[nkv - 1][jy60] * phasl);
+ for (int jx55 = 1; jx55 < nks; jx55++) {
+ vkx = vkv[jx55];
+ double vkz = vkzm[jx55][jy60];
+ complex<double> phas = exp(uim * (vkx * x + vky * y + vkz * z));
+ sumx += (w[jx55][jy60] * phas);
+ } // jx55 loop
+ if (jy60 == 0 || jy60 == nkv - 1) sumx *= 0.5;
+ sumy += sumx;
+ } // jy60 loop
+ wsum[j80][ixyz - 1] = sumy * delks;
+ } // ix65 loop
+ } // iy70 loop
+ } // iz75 loop
+ } // j80 loop
+ if (jlmf != 1) {
+ tfrfme.open(tfrfme_name, ios::in | ios::out | ios::binary);
+ tfrfme.read(reinterpret_cast<char *>(&lmode), sizeof(int));
+ tfrfme.read(reinterpret_cast<char *>(&lm), sizeof(int));
+ tfrfme.read(reinterpret_cast<char *>(&nkv), sizeof(int));
+ tfrfme.read(reinterpret_cast<char *>(&nxv), sizeof(int));
+ tfrfme.read(reinterpret_cast<char *>(&nyv), sizeof(int));
+ tfrfme.read(reinterpret_cast<char *>(&nzv), sizeof(int));
+ tfrfme.read(reinterpret_cast<char *>(&vk), sizeof(double));
+ tfrfme.read(reinterpret_cast<char *>(&exri), sizeof(double));
+ tfrfme.read(reinterpret_cast<char *>(&an), sizeof(double));
+ tfrfme.read(reinterpret_cast<char *>(&ff), sizeof(double));
+ tfrfme.read(reinterpret_cast<char *>(&tra), sizeof(double));
+ tfrfme.read(reinterpret_cast<char *>(&spd), sizeof(double));
+ tfrfme.read(reinterpret_cast<char *>(&frsh), sizeof(double));
+ tfrfme.read(reinterpret_cast<char *>(&exril), sizeof(double));
+ for (int i = 0; i < nxv; i++) tfrfme.read(reinterpret_cast<char *>(&(xv[i])), sizeof(double));
+ for (int i = 0; i < nyv; i++) tfrfme.read(reinterpret_cast<char *>(&(yv[i])), sizeof(double));
+ for (int i = 0; i < nzv; i++) tfrfme.read(reinterpret_cast<char *>(&(zv[i])), sizeof(double));
+ }
+ // label 88
+ for (int ixyz = 0; ixyz < nrvc; ixyz++) {
+ for (int j = 0; j< jlml; j++) {
+ double vreal = wsum[j][ixyz].real();
+ double vimag = wsum[j][ixyz].imag();
+ tfrfme.write(reinterpret_cast<char *>(&vreal), sizeof(double));
+ tfrfme.write(reinterpret_cast<char *>(&vimag), sizeof(double));
+ } // j loop
+ } // ixyz loop
tfrfme.close();
+ string output_name = output_path + "/c_OFRFME";
+ FILE *output = fopen(output_name.c_str(), "w");
+ fprintf(output, " IF JLML < NLMMT, PRESERVE TEMPTAPE1, TEMPTAPE2, AND TFRFRME,\n");
+ fprintf(output, " AND RESTART LM RUN WITH JLMF = JLML+1\n");
+ if (spd > 0.0) fprintf(output, " FRSHMX =%15.7lE\n", fshmx);
+ fprintf(output, " FRSH =%15.7lE\n", frsh);
+ fclose(output);
} else { // Should never happen.
printf("ERROR: could not open TFRFME file for output.\n");
}
@@ -328,7 +421,7 @@ int main() {
}
}
// label 45
-
+ if (tfrfme.is_open()) tfrfme.close();
delete[] file_lines;
if (xv != NULL) delete[] xv;
if (yv != NULL) delete[] yv;
@@ -342,6 +435,11 @@ int main() {
for (int wsi = wsum_size - 1; wsi > -1; wsi--) delete[] wsum[wsi];
delete[] wsum;
}
+ if (wk != NULL) delete[] wk;
+ if (w != NULL) {
+ for (int wi = nkv - 1; wi > -1; wi--) delete[] w[wi];
+ delete[] w;
+ }
printf("Done.\n");
return 0;
}