Cleaned cosgtos

2024-12-21 19:13:29 +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