Skip to content
Projects
Groups
Snippets
Help
Loading...
Help
Support
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
fleur
Project
Project
Details
Activity
Releases
Cycle Analytics
Repository
Repository
Files
Commits
Branches
Tags
Contributors
Graph
Compare
Charts
Issues
57
Issues
57
List
Boards
Labels
Milestones
Packages
Packages
Container Registry
Wiki
Wiki
Members
Members
Collapse sidebar
Close sidebar
Activity
Graph
Charts
Create a new issue
Commits
Issue Boards
Open sidebar
fleur
fleur
Commits
4cb16115
Commit
4cb16115
authored
Aug 21, 2019
by
Gregor Michalicek
Browse files
Options
Browse Files
Download
Email Patches
Plain Diff
Refinement of commit
b7ca4729
parent
4ec93b2b
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
1 addition
and
1 deletion
+1
-1
diagonalization/lapack_diag.F90
diagonalization/lapack_diag.F90
+1
-1
No files found.
diagonalization/lapack_diag.F90
View file @
4cb16115
...
...
@@ -50,7 +50,7 @@ IMPLICIT NONE
CALL
zhegvx
(
1
,
'V'
,
'I'
,
'U'
,
hmat
%
matsize1
,
hmat
%
data_c
,
SIZE
(
hmat
%
data_c
,
1
),
smat
%
data_c
,
SIZE
(
smat
%
data_c
,
1
),&
0.0
,
0.0
,
1
,
ne
,
abstol
,
m
,
eigTemp
,
zmat
%
data_c
,
SIZE
(
zmat
%
data_c
,
1
),
work
,
lwork
,
rwork
,
iwork
,
ifail
,
info
)
ENDIF
eig
(:
SIZE
(
eig
))
=
eigTemp
(:
SIZE
(
eig
))
eig
(:
MIN
(
SIZE
(
eig
),
SIZE
(
eigTemp
)))
=
eigTemp
(:
MIN
(
SIZE
(
eig
),
SIZE
(
eigTemp
)
))
IF
(
info
.NE.
0
)
CALL
judft_error
(
"Diagonalization via LAPACK failed(zhegvx/dsygvx)"
,
no
=
info
)
IF
(
m
.NE.
ne
)
CALL
judft_error
(
"Diagonalization via LAPACK failed failed without explicit errorcode."
)
END
SUBROUTINE
lapack_diag
...
...
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