## File: LU_inverse.c

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openmx 3.7.6-1
 `123456789101112131415161718192021222324252627282930313233343536373839404142434445464748495051525354555657585960616263646566676869707172737475767778798081828384858687888990919293949596979899100101102103104105106107108109110111112113114115116117118119120121122123124125126127128129130131132133134135136137138139140141142143144145146147148149150151152153154155156157158159160161162163164165166` ``````/********************************************************************** LU_inverse.c: LU_inverse.c is a subroutine to calculate the inverse of matrix constructed by complex numbers using LU factorization. Log of LU_inverse.c: 22/Nov/2001 Released by T.Ozaki ***********************************************************************/ #include #include #include #include "openmx_common.h" void LU_inverse(int n, dcomplex **a) { int i,j,k; dcomplex w,sum; dcomplex *x,*y; dcomplex **ia; dcomplex **b; dcomplex **da; /**************************************************** allocation of arrays: static dcomplex x[List_YOUSO[7]]; static dcomplex y[List_YOUSO[7]]; static dcomplex ia[List_YOUSO[7]][List_YOUSO[7]]; static dcomplex b[List_YOUSO[7]][List_YOUSO[7]]; static dcomplex da[List_YOUSO[7]][List_YOUSO[7]]; ****************************************************/ x = (dcomplex*)malloc(sizeof(dcomplex)*List_YOUSO[7]); y = (dcomplex*)malloc(sizeof(dcomplex)*List_YOUSO[7]); ia = (dcomplex**)malloc(sizeof(dcomplex*)*List_YOUSO[7]); for (i=0; i