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fixes for asan

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edoapra 2022-12-10 19:34:26 -08:00
parent 5171944cc2
commit c13c48cc2e
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2 changed files with 12 additions and 4 deletions
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8
src/nwdft/grid/grid_acc_def.F
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@ -25,7 +25,8 @@ c
double precision grid_acc(num_gridtypes)
double precision job_grid_acc
character*16 element
character*16 tag
character*16 tag, tag_mod
integer lenb
double precision eps
parameter (eps = 1.d-20)
data gridtypes /'xcoarse', 'coarse', 'medium', 'fine', 'xfine',
@ -418,7 +419,10 @@ c
c hack for nbo
if(tag(3:4).eq.'gh') iptr=5
if(tag(1:1).eq.'X'.or.tag(1:1).eq.'x') iptr=2
if (.not. geom_tag_to_element(tag(iptr:), symbol,
lenb=inp_strlen(tag)
tag_mod=' '
tag_mod(1:lenb-iptr+1)=tag(iptr:lenb)
if (.not. geom_tag_to_element(tag_mod, symbol,
& element, i_atomic_number)) then
if (inp_compare(.false.,tag(1:2),'bq')) then
i_atomic_number = 0

8
src/nwdft/grid/grid_atom_type_info.F
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@ -26,7 +26,8 @@ c
logical same_atom, same_bq, isbq
c
character*16 element
character*16 tag
character*16 tag,tag_mod
integer lenb
character*2 symbol
c
logical lnewtype
@ -179,7 +180,10 @@ c Hence they should always have i_atomic_number .eq. 0
c no matter what follows the X.
c
if(tag(1:1).eq.'X'.or.tag(1:1).eq.'x') iptr=2
if (.not. geom_tag_to_element(tag(iptr:), symbol,
lenb=inp_strlen(tag)
tag_mod=' '
tag_mod(1:lenb-iptr+1)=tag(iptr:lenb)
if (.not. geom_tag_to_element(tag_mod, symbol,
& element, i_atomic_number)) then
if (inp_compare(.false.,tag(1:2),'bq')) then
if(bqdontcare) then