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Yet another bug fixed in the path interpolator. 

C.S.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@613 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
sbraccia 2004-02-18 13:22:07 +00:00
parent 3f244e28ce
commit ac8005dc1f
1 changed files with 20 additions and 8 deletions
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18
pwtools/path_int.f90
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@ -250,9 +250,21 @@ PROGRAM images_interpolator
R = old_mesh( first_image ) + REAL(j) * delta_R
!
new_mesh(j+1) = R
!
check_index: DO
!
IF ( ( R > old_mesh(i+1) ) .AND. &
( i < ( old_num_of_images - 1 ) ) ) i = i + 1
( i < ( old_num_of_images - 1 ) ) ) THEN
!
i = i + 1
!
ELSE
!
EXIT check_index
!
END IF
!
END DO check_index
!
x = R - old_mesh( i )
!
@ -262,8 +274,8 @@ PROGRAM images_interpolator
!
END IF
!
old_mesh = old_mesh / ( old_mesh(last_image) - old_mesh(first_image) )
new_mesh = new_mesh / ( new_mesh(new_num_of_images) - old_mesh(1) )
old_mesh = old_mesh / old_mesh(old_num_of_images)
new_mesh = new_mesh / new_mesh(new_num_of_images)
!
CALL dosplineint( old_mesh , old_pos , new_mesh , new_pos )
CALL dosplineint( old_mesh , old_PES_gradient , new_mesh , new_PES_gradient )