Commit 0beed7ab authored by Gregor Michalicek's avatar Gregor Michalicek

Slight cleanup in force/geo.f90

parent 0da75c03
......@@ -112,14 +112,10 @@ CONTAINS
na = 1
DO i = 1,atoms_new%ntype
zat(i)=real(atoms%nz(i))
IF (input%film) atoms_new%taual(3,na) = atoms_new%taual(3,na)/cell%amat(3,3)
tau0_i(:,i) = atoms_new%taual(:,na)
tau0(:,i)=MATMUL(cell%amat,tau0_i(:,i))
tau0(:,i)=atoms%pos(:,na)
na = na + atoms_new%neq(i)
END DO
CALL bfgs0(atoms%ntype, istep0,xold,y,h)
DO itype=1,atoms%ntype
......@@ -171,13 +167,9 @@ CONTAINS
ENDDO
ENDDO
! CALL judft_error("Writing on new input file not implemented in geo")
input%l_f = .FALSE.
! CALL rw_inp('W',atoms_new,obsolete,vacuum,input,stars,sliceplot,banddos,&
! cell,sym,xcpot,noco,jij,oneD,hybrid,kpts,&
! noel,namex,relcor,a1,a2,a3,scale,dtild,name)
IF(.NOT.input%l_inpXML) THEN
IF(.NOT.input%l_inpXML) THEN
ALLOCATE(atoms_temp%nz(atoms%ntype))
ALLOCATE(atoms_temp%zatom(atoms%ntype))
ALLOCATE(atoms_temp%jri(atoms%ntype))
......
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