Fix a dependancy when disosiate bielec_integral and mono_elec
Before Width: | Height: | Size: 98 KiB After Width: | Height: | Size: 107 KiB |
Before Width: | Height: | Size: 85 KiB After Width: | Height: | Size: 92 KiB |
Before Width: | Height: | Size: 111 KiB After Width: | Height: | Size: 116 KiB |
Before Width: | Height: | Size: 104 KiB After Width: | Height: | Size: 110 KiB |
Before Width: | Height: | Size: 85 KiB After Width: | Height: | Size: 92 KiB |
Before Width: | Height: | Size: 86 KiB After Width: | Height: | Size: 92 KiB |
Before Width: | Height: | Size: 112 KiB After Width: | Height: | Size: 117 KiB |
Before Width: | Height: | Size: 105 KiB After Width: | Height: | Size: 111 KiB |
Before Width: | Height: | Size: 99 KiB After Width: | Height: | Size: 108 KiB |
|
@ -1 +1 @@
|
|||
Integrals_Bielec
|
||||
Integrals_Monoelec Integrals_Bielec
|
|
@ -34,6 +34,7 @@ Needed Modules
|
|||
|
||||
.. image:: tree_dependancy.png
|
||||
|
||||
* `Integrals_Monoelec <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec>`_
|
||||
* `Integrals_Bielec <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Bielec>`_
|
||||
|
||||
Documentation
|
||||
|
|
Before Width: | Height: | Size: 53 KiB After Width: | Height: | Size: 61 KiB |
Before Width: | Height: | Size: 58 KiB After Width: | Height: | Size: 66 KiB |
Before Width: | Height: | Size: 100 KiB After Width: | Height: | Size: 106 KiB |
Before Width: | Height: | Size: 59 KiB After Width: | Height: | Size: 67 KiB |
Before Width: | Height: | Size: 69 KiB After Width: | Height: | Size: 78 KiB |
Before Width: | Height: | Size: 60 KiB After Width: | Height: | Size: 64 KiB |
|
@ -1 +1 @@
|
|||
Integrals_Monoelec Bitmask
|
||||
Pseudo MOs Bitmask
|
||||
|
|
|
@ -18,7 +18,8 @@ Needed Modules
|
|||
|
||||
.. image:: tree_dependancy.png
|
||||
|
||||
* `Integrals_Monoelec <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec>`_
|
||||
* `Pseudo <http://github.com/LCPQ/quantum_package/tree/master/src/Pseudo>`_
|
||||
* `MOs <http://github.com/LCPQ/quantum_package/tree/master/src/MOs>`_
|
||||
* `Bitmask <http://github.com/LCPQ/quantum_package/tree/master/src/Bitmask>`_
|
||||
|
||||
Documentation
|
||||
|
|
Before Width: | Height: | Size: 48 KiB After Width: | Height: | Size: 46 KiB |
|
@ -25,12 +25,6 @@ Documentation
|
|||
`do_print <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/check_orthonormality.irp.f#L11>`_
|
||||
Undocumented
|
||||
|
||||
`n_pt_max_i_x <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/dimensions.irp.f#L2>`_
|
||||
Undocumented
|
||||
|
||||
`n_pt_max_integrals <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/dimensions.irp.f#L1>`_
|
||||
Undocumented
|
||||
|
||||
`ao_deriv2_x <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/kin_ao_ints.irp.f#L1>`_
|
||||
second derivatives matrix elements in the ao basis
|
||||
.. math::
|
||||
|
|
Before Width: | Height: | Size: 100 KiB After Width: | Height: | Size: 107 KiB |
Before Width: | Height: | Size: 100 KiB After Width: | Height: | Size: 106 KiB |
Before Width: | Height: | Size: 69 KiB After Width: | Height: | Size: 78 KiB |