Skip to content
GitLab
Projects
Groups
Snippets
/
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
Menu
Open sidebar
fleur
fleur
Commits
6817666b
Commit
6817666b
authored
Jan 04, 2019
by
Uliana Alekseeva
Browse files
inpgen updated for >999 atoms
parent
e1819a62
Changes
1
Hide whitespace changes
Inline
Side-by-side
inpgen/spg_gen.f
View file @
6817666b
...
...
@@ -134,8 +134,8 @@
DO
n
=
1
,
natin
DO
i
=
n
+1
,
natin
IF
(
all
(
abs
(
pos
(:,
n
)
-
pos
(:,
i
)
)
<
eps7
)
)
then
WRITE
(
6
,
'(/," Error in atomic positions: atoms",i
3
,
& " and",i
3
," (at least) are the same")'
)
n
,
i
WRITE
(
6
,
'(/," Error in atomic positions: atoms",i
5
,
& " and",i
5
," (at least) are the same")'
)
n
,
i
CALL
juDFT_error
(
"atom positions"
,
calledby
=
"spg_gen"
)
ENDIF
ENDDO
...
...
Write
Preview
Supports
Markdown
0%
Try again
or
attach a new 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