Commit 75889a36 authored by Matthias Redies's avatar Matthias Redies

fixed formating in mkgylm

parent 930c4c10
......@@ -89,7 +89,7 @@ CONTAINS
RETURN !Do not calculate arrays for in-build GGA
END IF
! Old code for in-build xcpots
IF (jspins.EQ.1) THEN
IF (jspins==1) THEN
points_1 : DO i = 1,nsp
......@@ -108,13 +108,12 @@ CONTAINS
ro = rh(i,1)
IF (ro.LT.chsml) CYCLE points_1
IF (ro<chsml) CYCLE points_1
sint1 = sin(thet(i))
sint2 = sint1**2
tant1 = tan(thet(i))
rvsin1 = rv1*sint1
rou = ro/2
rdru = rhdr(i,1)/2
rdtu = rhdt(i,1)/2
......@@ -155,7 +154,7 @@ CONTAINS
grad%agrt(kt+i) = sqrt(grr**2+grt**2+grf**2)
IF (grad%agrt(kt+i).LT.chsml) CYCLE points_1
IF (grad%agrt(kt+i)<chsml) CYCLE points_1
dagrr = (rdr*drdr*rv3+rdt* (rdrt*rv1-rdt)+ &
rdf* (rdrf*rv1-rdf)/sint2)/grad%agrt(kt+i)/rv3
......@@ -169,7 +168,6 @@ CONTAINS
grad%g2rt(kt+i)=drdr+2.0*rdr/rv1+&
(rdtt+rdt/tant1+rdff/sint2)/rv2
dzdr = ((rdru-rdrd)*ro- (rou-rod)*rdr)/ro2
!-- > dzdtr,dzdfs vanish by definition.
......@@ -225,7 +223,6 @@ CONTAINS
grad%grgrd(kt+i) = grr*grrd + grt*grtd + grf*grfd
ENDDO points_1
ELSE
......@@ -247,7 +244,7 @@ CONTAINS
ro = rh(i,1) + rh(i,jspins)
IF (ro.LT.chsml) CYCLE points_2
IF (ro<chsml) CYCLE points_2
sint1 = sin(thet(i))
sint2 = sint1**2
......@@ -294,7 +291,7 @@ CONTAINS
grad%agrt(kt+i) = sqrt(grr**2+grt**2+grf**2)
IF (grad%agrt(kt+i).LT.chsml) CYCLE points_2
IF (grad%agrt(kt+i)<chsml) CYCLE points_2
dagrr = (rdr*drdr*rv3+rdt* (rdrt*rv1-rdt)+ rdf* (rdrf*rv1-rdf)/sint2)/grad%agrt(kt+i)/rv3
......@@ -333,7 +330,6 @@ CONTAINS
grad%grgru(kt+i) = grr*grru + grt*grtu + grf*grfu
grrd = rdrd
grtd = rdtd/rv1
grfd = rdfd/rvsin1
......@@ -346,15 +342,12 @@ CONTAINS
dagrfd = (rdrd*rdrfd*rv2+rdtd*rdtfd+rdfd*rdffd/sint2)/ (grad%agrd(kt+i)*rv3*sint1)
grad%g2rd(kt+i) = rdrrd + 2*rdrd/rv1 + (rdttd+rdtd/tant1+rdffd/sint2)/rv2
grad%gggrd(kt+i) = grrd*dagrrd + grtd*dagrtd + grfd*dagrfd
grad%grgrd(kt+i) = grr*grrd + grt*grtd + grf*grfd
ENDDO points_2
ENDIF
......
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