diff --git a/include/Helpers.hpp b/include/Helpers.hpp index 9f3426b..5f52bee 100644 --- a/include/Helpers.hpp +++ b/include/Helpers.hpp @@ -79,7 +79,7 @@ T *matMul(T *A, T *B, unsigned int M) { template void matMul2(T *A, T *B, T *C, unsigned int M) { - memset(C,0,M*M*sizeof(T)); + memset(C, 0, M*M*sizeof(T)); for (unsigned int i = 0; i < M; i++) { for (unsigned int j = 0; j < M; j++) { for (unsigned int k = 0; k < M; k++) { diff --git a/src/SM_MaponiA3.cpp b/src/SM_MaponiA3.cpp index dfdd093..9fe3bc9 100644 --- a/src/SM_MaponiA3.cpp +++ b/src/SM_MaponiA3.cpp @@ -67,11 +67,10 @@ void MaponiA3(double *Slater_inv, unsigned int Dim, } } } - - double *next = new double[Dim*Dim] {0}; - double *last; - last = Slater_inv; + // Construct A-inverse from A0-inverse and the ylk + double *last = Slater_inv; + double *next = new double[Dim*Dim] {0}; for (l = 0; l < N_updates; l++) { k = l + 1; component = Updates_index[p[k] - 1]; @@ -82,7 +81,6 @@ void MaponiA3(double *Slater_inv, unsigned int Dim, * ylk[l][p[k]][i + 1] / beta; } } - matMul2(Al, last, next, Dim); double *tmp = next; next = last;