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Cleaned-up main loop.

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François Coppens 2021-03-04 18:36:51 +01:00
parent 066e50914c
commit a9604b3838
1 changed files with 5 additions and 5 deletions
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10
src/SM_MaponiA3.cpp
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@ -76,18 +76,18 @@ void MaponiA3(double *Slater_inv, unsigned int Dim,
} tmp = p[l+1]; p[l+1] = p[lbar]; p[lbar] = tmp; } tmp = p[l+1]; p[l+1] = p[lbar]; p[lbar] = tmp;
component = Updates_index[p[l+1] - 1]; component = Updates_index[p[l+1] - 1];
beta = 1 + ylk[l+1 - 1][p[l+1]][component]; beta = 1 + ylk[l][p[l+1]][component];
if (beta == 0) { if (beta == 0) {
cout << "Break-down occured. Exiting..." << endl; cout << "Break-down occured. Exiting..." << endl;
exit(1); exit(1);
} }
for (k = l+1 + 1; k < N_updates + 1; k++) { for (k = l+2; k < N_updates + 1; k++) {
alpha = ylk[l+1 - 1][p[k]][component] / beta; alpha = ylk[l][p[k]][component] / beta;
cout << "( l, k, p[k], component ) = (" << l << ", " << k << ", " << p[k] << ", " << component << ")" << endl; cout << "( l, k, p[k], component ) = (" << l << ", " << k << ", " << p[k] << ", " << component << ")" << endl;
for (i = 1; i < Dim + 1; i++) { for (i = 1; i < Dim + 1; i++) {
cout << "ylk[" << l << "][p[" << k << "]][" << i << "] = ylk[" << l - 1 << "][p[" << k << "]][" << i << "] - alpha * ylk[" << l - 1 << "][p[" << l << "]][" << i << "]" << endl; cout << "ylk[" << l << "][p[" << k << "]][" << i << "] = ylk[" << l - 1 << "][p[" << k << "]][" << i << "] - alpha * ylk[" << l - 1 << "][p[" << l << "]][" << i << "]" << endl;
ylk[l+1][p[k]][i] = ylk[l+1 - 1][p[k]][i] ylk[l+1][p[k]][i] = ylk[l][p[k]][i]
- alpha * ylk[l+1 - 1][p[l+1]][i]; - alpha * ylk[l][p[l+1]][i];
} }
} }
} }