TABLE OF CONTENTS

ABINIT/m_xg_ortho_RR [ Modules ]

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NAME

  m_xg_ortho_RR

FUNCTION

COPYRIGHT

  Copyright (C) 2024-2024 ABINIT group (L. Baguet)
  This file is distributed under the terms of the
  GNU General Public License, see ~abinit/COPYING
  or http://www.gnu.org/copyleft/gpl.txt .

NOTES

SOURCE

17 #if defined HAVE_CONFIG_H
18 #include "config.h"
19 #endif
20 
21 #include "abi_common.h"
22 
23 #include "nvtx_macros.h"
24 
25 module m_xg_ortho_RR
26 
27   use m_errors
28   use m_abicore
29   use defs_basis
30   use m_time, only : timab
31   use m_xmpi
32 
33   use m_xg
34   use m_xgScalapack
35 
36 #if defined(HAVE_GPU) && defined(HAVE_GPU_MARKERS)
37  use m_nvtx_data
38 #endif
39 
40   implicit none
41 
42   private
43 
44   integer, parameter :: VAR_X   = 1000
45   integer, parameter :: VAR_XW  = 1010
46   integer, parameter :: VAR_XWP = 1100
47 
48   integer, parameter :: EIGENVX = 1
49   integer, parameter :: EIGENVD = 2
50   integer, parameter :: EIGENV = 3
51   integer, parameter :: EIGENPVX = 4
52   integer, parameter :: EIGENPVD = 5
53   integer, parameter :: EIGENPV = 6
54   integer, parameter :: EIGENEVD = 7
55   integer, parameter :: EIGENEV = 8
56   integer, parameter :: EIGENPEVD = 9
57   integer, parameter :: EIGENPEV = 10
58   integer, parameter :: EIGENSLK = 11
59   logical, parameter :: EIGPACK(11) = &
60     (/ .false.,.false.,.false., &
61        .true. ,.true. ,.true. ,&
62        .false.,.false.,&
63        .true. ,.true., .false.  /)
64 
65   integer, parameter :: tim_RR_diago  = 1795
66   integer, parameter :: tim_RR_gemm_1 = 1796
67   integer, parameter :: tim_RR_gemm_2 = 1797
68 
69   public :: xg_Borthonormalize
70   public :: xg_RayleighRitz
71 
72   contains

m_xg_ortho_RR/xg_Borthonormalize [ Functions ]

[ Top ] [ m_xg_ortho_RR ] [ Functions ]

NAME

 xg_Borthonormalize

m_xg_ortho_RR/xg_RayleighRitz [ Functions ]

[ Top ] [ m_xg_ortho_RR ] [ Functions ]

NAME

 xg_RayleighRitz