SUBROUTINE SETUPUMAT2D_DF() ! Set up UMat2D for storing the <ij|u|ij> and <ij|u|ji> integrals for ! density fitting calculations. INTEGER ierr character(len=*), parameter :: thisroutine = 'SETUPUMAT2D_DF' IF (NSLOTSINIT < 0) THEN TUMAT2D = .FALSE. write(stdout, *) "Not using UMAT2D." ELSE TUMAT2D = .TRUE. allocate(UMat2D(nStates, nStates), STAT=ierr) UMat2D = 0.0_dp ! write(stdout,*) "nStates for UMat2D: ",nStates call LogMemAlloc('UMat2D', nStates**2, 8 * HElement_t_size, thisroutine, tagUMat2D, ierr) IF (.not. tRIIntegrals) THEN CALL ReadDalton2EIntegrals(nStates, UMat2D, tUMat2D) end if end if END SUBROUTINE SetupUMat2D_DF