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minor name change

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This commit is contained in:
Kevin Gasperich 2019-12-09 12:16:48 -06:00
parent 15ab29206c
commit f65b7c0ead
2 changed files with 2 additions and 2 deletions
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2
src/ao_one_e_ints/ao_overlap.irp.f
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@ -109,7 +109,7 @@ BEGIN_PROVIDER [ double precision, ao_overlap_abs,(ao_num,ao_num) ]
double precision :: A_center(3), B_center(3) double precision :: A_center(3), B_center(3)
integer :: power_A(3), power_B(3) integer :: power_A(3), power_B(3)
double precision :: lower_exp_val, dx double precision :: lower_exp_val, dx
if (periodic) then if (is_periodic) then
do j=1,ao_num do j=1,ao_num
do i= 1,ao_num do i= 1,ao_num
ao_overlap_abs(i,j)= cdabs(ao_overlap_complex(i,j)) ao_overlap_abs(i,j)= cdabs(ao_overlap_complex(i,j))

2
src/nuclei/EZFIO.cfg
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@ -32,7 +32,7 @@ doc: Nuclear repulsion (Computed automaticaly or Read in the |EZFIO|)
type:double precision type:double precision
interface: ezfio interface: ezfio
[periodic] [is_periodic]
type: logical type: logical
doc: If true, the calculation uses periodic boundary conditions doc: If true, the calculation uses periodic boundary conditions
interface: ezfio, provider, ocaml interface: ezfio, provider, ocaml