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In Maponi A3, converted divisions into multiplications.

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François Coppens 2021-04-19 08:28:19 +02:00 committed by Francois Coppens
parent af64b91ca6
commit fb3ed9ce0c
1 changed files with 3 additions and 2 deletions
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5
src/SM_MaponiA3.cpp
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@ -79,6 +79,7 @@ void MaponiA3(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
if (fabs(beta) < threshold()) {
std::cerr << "Break-down occured." << std::endl;
}
double ibeta = 1.0 / beta;
// Compute intermediate update to Slater_inv
#ifdef DEBUG
@ -93,7 +94,7 @@ void MaponiA3(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
for (i = 0; i < Dim; i++) {
for (j = 0; j < Dim; j++) {
Al[i * Dim + j] =
(i == j) - (j == component - 1) * ylk[l][p[l + 1]][i + 1] / beta;
(i == j) - (j == component - 1) * ylk[l][p[l + 1]][i + 1] * ibeta;
}
}
matMul(Al, last, next, Dim);
@ -106,7 +107,7 @@ void MaponiA3(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
// For given l != 0 compute the next {y_{l,k}}
for (k = l + 2; k < N_updates + 1; k++) {
alpha = ylk[l][p[k]][component] / beta;
alpha = ylk[l][p[k]][component] * ibeta;
#ifdef DEBUG
std::cout << "Inside k-loop: k = " << k << std::endl;
std::cout << "ylk[" << l + 1 << "][" << p[k] << "][:]" << std::endl;