Commit 49a4d9aa authored by Vasily Tseplyaev's avatar Vasily Tseplyaev

Change forcetheorem output slightly

'Q-vec:' attribute of the out.xml output was renamed to
'Q-vec' (colon removed) because the former name could not
be parsed in aiida-fleur via lxml for some reason
parent 8300a407
......@@ -84,7 +84,7 @@ CONTAINS
IF (.NOT.this%l_io) RETURN
IF (this%q_done.NE.1) CALL closeXMLElement('Forcetheorem_Loop_DMI')
CALL openXMLElementPoly('Forcetheorem_Loop_DMI',(/'Q-vec:'/),(/this%q_done/))
CALL openXMLElementPoly('Forcetheorem_Loop_DMI',(/'Q-vec'/),(/this%q_done/))
END FUNCTION dmi_next_job
SUBROUTINE dmi_postprocess(this)
......
......@@ -86,7 +86,7 @@ CONTAINS
noco%qss=this%qvec(:,this%q_done)
IF (.NOT.this%l_io) RETURN
IF (this%q_done.NE.1) CALL closeXMLElement('Forcetheorem_Loop_SSDISP')
CALL openXMLElementPoly('Forcetheorem_Loop_SSDISP',(/'Q-vec:'/),(/this%q_done/))
CALL openXMLElementPoly('Forcetheorem_Loop_SSDISP',(/'Q-vec'/),(/this%q_done/))
END FUNCTION ssdisp_next_job
SUBROUTINE ssdisp_postprocess(this)
......
Markdown is supported
0%
or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment