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Cleaned cosgtos
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This commit is contained in:
Anthony Scemama 2023-06-01 11:11:29 +02:00
parent 00be089323
commit 77186e0560
11 changed files with 11 additions and 26 deletions

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@ -67,3 +67,14 @@ doc: Use normalized primitive functions
interface: ezfio, provider
default: true
[ao_expoim_cosgtos]
type: double precision
doc: imag part for Exponents for each primitive of each cosGTOs |AO|
size: (ao_basis.ao_num,ao_basis.ao_prim_num_max)
interface: ezfio, provider
[use_cosgtos]
type: logical
doc: If true, use cosgtos for AO integrals
interface: ezfio,provider
default: False

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@ -1,3 +1,2 @@
ao_basis
pseudo
cosgtos_ao_int

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@ -1,12 +0,0 @@
[ao_expoim_cosgtos]
type: double precision
doc: imag part for Exponents for each primitive of each cosGTOs |AO|
size: (ao_basis.ao_num,ao_basis.ao_prim_num_max)
interface: ezfio, provider
[use_cosgtos]
type: logical
doc: If true, use cosgtos for AO integrals
interface: ezfio,provider,ocaml
default: False

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@ -1,2 +0,0 @@
ezfio_files
ao_basis

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@ -1,4 +0,0 @@
==============
cosgtos_ao_int
==============

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@ -1,7 +0,0 @@
program cosgtos_ao_int
implicit none
BEGIN_DOC
! TODO : Put the documentation of the program here
END_DOC
print *, 'Hello world'
end