Cleaned cosgtos

2024-12-21 11:03:29 +01:00 · 2023-06-01 11:11:29 +02:00 · 2023-06-01 11:11:29 +02:00 · 77186e0560
commit 77186e0560
parent 00be089323
11 changed files with 11 additions and 26 deletions
--- a/src/ao_basis/EZFIO.cfg
+++ b/src/ao_basis/EZFIO.cfg
@ -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
--- a/src/ao_one_e_ints/NEED
+++ b/src/ao_one_e_ints/NEED
@ -1,3 +1,2 @@
 ao_basis
 pseudo
-cosgtos_ao_int
--- a/src/cosgtos_ao_int/aos_cosgtos.irp.f
+++ b/src/cosgtos_ao_int/aos_cosgtos.irp.f
--- a/src/ao_one_e_ints/one_e_Coul_integrals_cosgtos.irp.f
+++ b/src/ao_one_e_ints/one_e_Coul_integrals_cosgtos.irp.f
--- a/src/ao_one_e_ints/one_e_kin_integrals_cosgtos.irp.f
+++ b/src/ao_one_e_ints/one_e_kin_integrals_cosgtos.irp.f
--- a/src/cosgtos_ao_int/gauss_legendre.irp.f
+++ b/src/cosgtos_ao_int/gauss_legendre.irp.f
--- a/src/ao_two_e_ints/two_e_Coul_integrals_cosgtos.irp.f
+++ b/src/ao_two_e_ints/two_e_Coul_integrals_cosgtos.irp.f
--- a/src/cosgtos_ao_int/EZFIO.cfg
+++ b/src/cosgtos_ao_int/EZFIO.cfg
@ -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
-
--- a/src/cosgtos_ao_int/NEED
+++ b/src/cosgtos_ao_int/NEED
@ -1,2 +0,0 @@
-ezfio_files
-ao_basis
--- a/src/cosgtos_ao_int/README.rst
+++ b/src/cosgtos_ao_int/README.rst
@ -1,4 +0,0 @@
-==============
-cosgtos_ao_int
-==============
-
--- a/src/cosgtos_ao_int/cosgtos_ao_int.irp.f
+++ b/src/cosgtos_ao_int/cosgtos_ao_int.irp.f
@ -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