LCOV - code coverage report
Current view: top level - wannier - wann_radovlp_integrals.F (source / functions) Hit Total Coverage
Test: combined.info Lines: 0 9 0.0 %
Date: 2019-09-08 04:53:50 Functions: 0 1 0.0 %

          Line data    Source code
       1             : !--------------------------------------------------------------------------------
       2             : ! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
       3             : ! This file is part of FLEUR and available as free software under the conditions
       4             : ! of the MIT license as expressed in the LICENSE file in more detail.
       5             : !--------------------------------------------------------------------------------
       6             : 
       7             :       module m_wann_radovlp_integrals
       8             :       contains
       9           0 :       subroutine wann_radovlp_integrals(
      10           0 :      >               rmsh,jri,dx,radial1,radial2,
      11             :      <               integral)
      12             : c*************************************************
      13             : c     Calculate the radial integral needed for the
      14             : c     overlap.
      15             : c              Frank Freimuth
      16             : c*************************************************
      17             :       USE m_intgr, ONLY : intgr3      
      18             :       implicit none
      19             :       real, intent(in)    :: rmsh(:)
      20             :       integer,intent(in)  :: jri
      21             :       real, intent(in)    :: dx
      22             :       real, intent(in)    :: radial1(:,:)
      23             :       real, intent(in)    :: radial2(:,:)
      24             :       real, intent(out)   :: integral
      25             : 
      26             :       integer :: ir
      27             :       real    :: rr
      28           0 :       real    :: integrand(jri)
      29             :       integer :: slc
      30             : 
      31             :       REAL     :: difcub
      32             :       EXTERNAL :: difcub
      33             : 
      34           0 :       integrand=0.0
      35           0 :       do slc=1,2
      36           0 :          DO ir = 1,jri
      37             :             integrand(ir) = integrand(ir)+
      38           0 :      &         radial1(ir,slc)*radial2(ir,slc)
      39             :          END DO 
      40             :       enddo !slc
      41             : 
      42             :       CALL intgr3(
      43           0 :      &  integrand,rmsh(:),dx,jri,integral)      
      44             : 
      45           0 :       end subroutine wann_radovlp_integrals
      46             :       end module m_wann_radovlp_integrals

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