Skip to content
GitLab
Projects
Groups
Snippets
Help
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
fleur
Project overview
Project overview
Details
Activity
Releases
Repository
Repository
Files
Commits
Branches
Tags
Contributors
Graph
Compare
Issues
54
Issues
54
List
Boards
Labels
Service Desk
Milestones
Operations
Operations
Incidents
Packages & Registries
Packages & Registries
Container Registry
Analytics
Analytics
Repository
Value Stream
Wiki
Wiki
Members
Members
Collapse sidebar
Close sidebar
Activity
Graph
Create a new issue
Commits
Issue Boards
Open sidebar
fleur
fleur
Commits
007095dd
Commit
007095dd
authored
Jun 22, 2018
by
Daniel Wortmann
Browse files
Options
Browse Files
Download
Email Patches
Plain Diff
Fixed checking of matrix in symmetrize_matrix
parent
aeb73dc0
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
6 additions
and
1 deletion
+6
-1
diagonalization/symmetrize_matrix.f90
diagonalization/symmetrize_matrix.f90
+6
-1
No files found.
diagonalization/symmetrize_matrix.f90
View file @
007095dd
...
...
@@ -17,10 +17,15 @@ CONTAINS
INTEGER
,
INTENT
(
in
)
::
nk
CLASS
(
t_mat
),
INTENT
(
inout
)
::
hmat
,
smat
REAL
::
max_imag
!Check if we could exploit a real matrix even without inversion symmetry
realcomplex
:
IF
(
.NOT.
noco
%
l_noco
.AND..NOT.
hmat
%
l_real
)
THEN
IF
(
ALL
(
ABS
(
kpts
%
bk
(:,
nk
))
<
1E-10
))
THEN
IF
(
ANY
(
ABS
(
AIMAG
(
hmat
%
data_c
))
>
1e-10
))
EXIT
realcomplex
max_imag
=
MAXVAL
(
ABS
(
AIMAG
(
hmat
%
data_c
)))
IF
(
max_imag
>
1e-10
)
THEN
PRINT
*
,
"Real matrix expected but imaginary part is:"
,
max_imag
RETURN
ENDIF
IF
(
mpi
%
irank
==
0
)
THEN
PRINT
*
,
"Complex matrix made real"
...
...
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment