Commit e3e500a1 authored by Gregor Michalicek's avatar Gregor Michalicek

Shortened a line in out.xml

...to improve human readability
parent d0da8ed5
......@@ -217,12 +217,12 @@ CONTAINS
WRITE(attributes(1),'(i0)') jatom
WRITE(attributes(2),'(i0)') NINT(z)
WRITE(attributes(3),'(i0)') jspin
WRITE(attributes(4),'(f20.10)') tec
WRITE(attributes(5),'(f20.10)') sume
WRITE(attributes(6),'(f14.10)') q/input%jspins
WRITE(attributes(4),'(f18.10)') tec
WRITE(attributes(5),'(f18.10)') sume
WRITE(attributes(6),'(f9.6)') q/input%jspins
CALL openXMLElementForm('coreStates',(/'atomType ','atomicNumber ','spin ','kinEnergy ',&
'eigenvalueSum','lostElectrons'/),&
attributes,reshape((/8,12,4,9,13,13,6,3,1,20,20,14/),(/6,2/)))
'eigValSum ','lostElectrons'/),&
attributes,reshape((/8,12,4,9,9,13,6,3,1,18,18,9/),(/6,2/)))
DO korb = 1, atoms%ncst(jatom)
fj = iabs(kappa(korb)) - .5e0
weight = 2*fj + 1.e0
......
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