Funny error with debug flags: you cannot use the same variable twice as

argument to a routine, one as intent(in), one as intent(out): the latter
will destroy the initial value also for the former. Not sure this is the
correct behavior (happens woth g95) but anyway it is easy to fix


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6599 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2010-04-07 16:45:01 +00:00
parent 0eb6b52f9a
commit 6be4d743e6
3 changed files with 7 additions and 7 deletions

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@ -484,7 +484,7 @@ MODULE ions_positions
! as in the input file
USE cell_base, ONLY: s_to_r
USE cell_base, ONLY: boxdimensions, pbcs
USE cell_base, ONLY: boxdimensions
IMPLICIT NONE

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@ -541,7 +541,7 @@
REAL(DP), ALLOCATABLE :: rc(:,:)
REAL(DP), ALLOCATABLE :: fionloc(:,:)
REAL(DP) :: rxlm(3), sxlm(3)
REAL(DP) :: xlm, ylm, zlm, erre2, rlm, arg, esrtzero
REAL(DP) :: xlm,ylm,zlm, xlm0,ylm0,zlm0, erre2, rlm, arg, esrtzero
REAL(DP) :: addesr, addpre, repand, fxx
REAL(DP) :: rckj_m1
REAL(DP) :: zvk, zvj, zv2_kj
@ -652,10 +652,10 @@
tzero=.TRUE.
ELSE
! ... different atoms
xlm = taus(1,iakl) - taus(1,iajm)
ylm = taus(2,iakl) - taus(2,iajm)
zlm = taus(3,iakl) - taus(3,iajm)
CALL pbcs(xlm,ylm,zlm,xlm,ylm,zlm,1)
xlm0= taus(1,iakl) - taus(1,iajm)
ylm0= taus(2,iakl) - taus(2,iajm)
zlm0= taus(3,iakl) - taus(3,iajm)
CALL pbcs(xlm0,ylm0,zlm0,xlm,ylm,zlm,1)
TZERO=.FALSE.
END IF

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@ -24,7 +24,7 @@
subroutine VdW(evdw, taus, nat, na, nsp, fion, box)
USE constants, ONLY: au => BOHR_RADIUS_ANGS
USE cell_base, ONLY: s_to_r, boxdimensions, pbcs
USE cell_base, ONLY: s_to_r, boxdimensions
USE mp_global, ONLY: me_image, root_image
!