Skip to content

Commit

Permalink
use vcpwdf if nlopt is not available
Browse files Browse the repository at this point in the history
  • Loading branch information
aoterodelaroza committed Oct 27, 2024
1 parent 6c9a59e commit 967e279
Show file tree
Hide file tree
Showing 2 changed files with 7 additions and 3 deletions.
2 changes: 1 addition & 1 deletion VERSION
Original file line number Diff line number Diff line change
@@ -1 +1 @@
1.2.310
1.2.311
8 changes: 6 additions & 2 deletions src/[email protected]
Original file line number Diff line number Diff line change
Expand Up @@ -2036,13 +2036,17 @@ module subroutine struct_comparevc(s,line)

! header and initalization
lp = 1
write (uout,'("* COMPAREVC: compare crystal structures allowing for deformed cells")')

word = lgetword(line,lp)
if (equal(word,'vcpwdf')) then
call struct_comparevc_vcpwdf(s,line(lp:))
elseif (equal(word,'vcgpwdf')) then
call struct_comparevc_vcgpwdf(s,line(lp:))
else
#ifdef HAVE_NLOPT
call struct_comparevc_vcgpwdf(s,line)
#else
call struct_comparevc_vcpwdf(s,line)
#endif
end if

end subroutine struct_comparevc
Expand Down

0 comments on commit 967e279

Please sign in to comment.