Dear CP2K Developers,<br><br> I am wondering if CP2K has an interface subroutine for sparse matrices in DBCSR format to solve the linear equations:<br><br> A*B=C<br><br>where A and C are given DBCSR matrices. <br>
<br>For full matrices in cp_fm_type format, the subroutine "cp_fm_solve" in module cp_fm_basic_linalg seems working. However, my matrices of A and C are fairly large and the transformation between DBCSR and FULL formats would be very time-consuming. So, I am looking for an alternative way to solve the linear equations without fully expanding those large sparse matrices.<br>
<br> Any help is greatly appreciated. Thank you very much.<br><br>Hanning<br>