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version 5.0.5 lmx bug
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jlm785 committed Apr 12, 2022
1 parent a1806e5 commit 65dc085
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Showing 4 changed files with 10 additions and 9 deletions.
13 changes: 7 additions & 6 deletions Src/ALFA/for_str_nl_kb.f90
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Expand Up @@ -16,8 +16,8 @@
!> non-local Kleinman and Bylander type of pseudopotential
!>
!> \author Jose Luis Martins
!> \version 5.0.3
!> \date May 12 1990, 2 December 2021.
!> \version 5.0.5
!> \date May 12 1990, 12 April 2022.
!> \copyright GNU Public License v2

subroutine for_str_nl_kb(fnlkb, strnlkb, &
Expand All @@ -32,8 +32,9 @@ subroutine for_str_nl_kb(fnlkb, strnlkb, &
! Modified March 7 1999. jlm
! Modified January 5, 2017, f90. JLM
! Modified, documentation, January 2020. JLM
! Added the f non-local contributions. 2 December 2021.
! copyright inesc-mn/Jose Luis Martins
! Added the f non-local contributions. 2 December 2021. JLM
! Corrected lmx bug. 12 April 2022. JLM


implicit none

Expand Down Expand Up @@ -148,10 +149,10 @@ subroutine for_str_nl_kb(fnlkb, strnlkb, &

! finds real l maximum and allocates arrays

lmx = 0
do k = 1,ntype
lmx = 0
do l = 0,LMAX
if(nkb(l,0,k) /= 0) lmx = l
if(nkb(l,0,k) /= 0 .and. l > lmx) lmx = l
enddo
enddo
lsize = (lmx+1)*(lmx+1)
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2 changes: 1 addition & 1 deletion Src/cpw.f90
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Expand Up @@ -124,7 +124,7 @@ program cpw2000

! Driver program version

vdriv = '5.03'
vdriv = '5.05'

! timing

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2 changes: 1 addition & 1 deletion Src/cpw_post_process.f90
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Expand Up @@ -39,7 +39,7 @@ program cpw_post_process

! Driver program version

vdriv = '5.03'
vdriv = '5.05'

call tpage(vdriv)

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2 changes: 1 addition & 1 deletion Src/read_print/version.f90
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Expand Up @@ -31,7 +31,7 @@ subroutine version(cpwversion, ldevel)
character(len=4), intent(out) :: cpwversion !< hardcoded library version
logical, intent(out) :: ldevel !< development branch, minor version may be incompatible

cpwversion = '5.03'
cpwversion = '5.05'
ldevel = .FALSE.

return
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