Commit e628c304 authored by Matthias Redies's avatar Matthias Redies

fix indentation

parent b606e111
MODULE m_mkgl0 MODULE m_mkgl0
! ------------------------------------------------------------------ ! ------------------------------------------------------------------
! make quantities for vxcallg. for paramag. case ! make quantities for vxcallg. for paramag. case
! dens,drr,ddrr are charge density and its gradient for nonmag. ! dens,drr,ddrr are charge density and its gradient for nonmag.
...@@ -8,8 +8,8 @@ ...@@ -8,8 +8,8 @@
! gggr: grad(ro)*grad(agr), ! gggr: grad(ro)*grad(agr),
! grgru,d: grad(ro)*grad(rou),for rod., gzgr: grad(zeta)*grad(ro). ! grgru,d: grad(ro)*grad(rou),for rod., gzgr: grad(zeta)*grad(ro).
! ------------------------------------------------------------------ ! ------------------------------------------------------------------
CONTAINS CONTAINS
SUBROUTINE mkgl0(mshd,msh,jspd,jspins,rad, densi,drri,ddrri, grad) SUBROUTINE mkgl0(mshd,msh,jspd,jspins,rad, densi,drri,ddrri, grad)
USE m_types USE m_types
IMPLICIT NONE IMPLICIT NONE
...@@ -18,11 +18,11 @@ ...@@ -18,11 +18,11 @@
REAL, INTENT (IN) :: rad(mshd),densi(mshd,jspd) REAL, INTENT (IN) :: rad(mshd),densi(mshd,jspd)
REAL, INTENT (IN) :: drri(mshd,jspd),ddrri(mshd,jspd) REAL, INTENT (IN) :: drri(mshd,jspd),ddrri(mshd,jspd)
TYPE(t_gradients)::grad TYPE(t_gradients)::grad
REAL dagrr,dagrru,ddrr,ddrrd,ddrru,drr,drrd,drru,dzdr,ro,rod,rou,rv,spnf REAL dagrr,dagrru,ddrr,ddrrd,ddrru,drr,drrd,drru,dzdr,ro,rod,rou,rv,spnf
INTEGER i INTEGER i
! ------------------------------------------------------------------ ! ------------------------------------------------------------------
spnf = 1./(3-jspins) spnf = 1./(3-jspins)
IF (allocated(grad%sigma)) THEN IF (allocated(grad%sigma)) THEN
DO i=1,msh DO i=1,msh
...@@ -36,41 +36,41 @@ ...@@ -36,41 +36,41 @@
ENDIF ENDIF
DO i = 1,msh DO i = 1,msh
rv = rad(i) rv = rad(i)
ro = spnf * (densi(i,1) + densi(i,jspins)) ro = spnf * (densi(i,1) + densi(i,jspins))
rou = spnf * densi(i,1) rou = spnf * densi(i,1)
rod = spnf * densi(i,jspins) rod = spnf * densi(i,jspins)
drr = spnf * (drri(i,1) + drri(i,jspins))
drru = spnf * drri(i,1)
drrd = spnf * drri(i,jspins)
ddrr = spnf * (ddrri(i,1) + ddrri(i,jspins))
ddrru = spnf * ddrri(i,1)
ddrrd = spnf * ddrri(i,jspins)
drr = spnf * (drri(i,1) + drri(i,jspins)) grad%agrt(i) = abs(drr)
drru = spnf * drri(i,1) grad%agru(i) = abs(drru)
drrd = spnf * drri(i,jspins) grad%agrd(i) = grad%agru(i)
ddrr = spnf * (ddrri(i,1) + ddrri(i,jspins))
ddrru = spnf * ddrri(i,1)
ddrrd = spnf * ddrri(i,jspins)
grad%agrt(i) = abs(drr) dagrr = drr*ddrr/grad%agrt(i)
grad%agru(i) = abs(drru) dagrru = drru*ddrru/grad%agru(i)
grad%agrd(i) = grad%agru(i)
dagrr = drr*ddrr/grad%agrt(i) grad%gggrt(i) = drr*dagrr
dagrru = drru*ddrru/grad%agru(i) grad%gggru(i) = drru*dagrru
grad%gggrd(i) = grad%gggru(i)
grad%gggrt(i) = drr*dagrr
grad%gggru(i) = drru*dagrru
grad%gggrd(i) = grad%gggru(i)
dzdr = ((drru-drrd)*ro- (rou-rod)*drr)/ro**2 dzdr = ((drru-drrd)*ro- (rou-rod)*drr)/ro**2
grad%gzgr(i) = dzdr*drr grad%gzgr(i) = dzdr*drr
grad%g2rt(i) = ddrr + 2*drr/rv grad%g2rt(i) = ddrr + 2*drr/rv
grad%g2ru(i) = ddrru + 2*drru/rv grad%g2ru(i) = ddrru + 2*drru/rv
grad%g2rd(i) = ddrrd + 2*drrd/rv grad%g2rd(i) = ddrrd + 2*drrd/rv
grad%grgru(i) = drr*drru grad%grgru(i) = drr*drru
grad%grgrd(i) = drr*drrd grad%grgrd(i) = drr*drrd
ENDDO ENDDO
END SUBROUTINE mkgl0 END SUBROUTINE mkgl0
END MODULE m_mkgl0 END MODULE m_mkgl0
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