Remove ASSUMPTIONS.rst. Put it direcly in README.rst

scripts/module/update_README.py

@@ -43,34 +43,6 @@ def fetch_splitted_data():
 
     return result
 
-
-def update_assumptions(data):
-    """Read the ASSUMPTIONS.rst file, and replace the data with it."""
-
-    try:
-        file = open('ASSUMPTIONS.rst', 'r')
-    except IOError:
-        file = open('ASSUMPTIONS.rst', 'w')
-        assumptions = ""
-    else:
-        assumptions = file.read()
-    file.close()
-
-    if assumptions.strip() != "":
-        assumptions = Assum_key + header + assumptions + '\n\n'
-
-    has_assumptions = False
-    for i in range(len(data)):
-        if data[i].startswith(Assum_key):
-            has_assumptions = True
-            data[i] = assumptions
-
-    if not has_assumptions:
-        data.insert(1, assumptions)
-
-    return data
-
-
 def update_needed(data):
     """Read the NEEDED_CHILDREN_MODULES file, and replace the data with it.
     Create the links to the GitHub pages."""
@@ -195,7 +167,6 @@ def git_add():
 
 def main():
     data = fetch_splitted_data()
-    data = update_assumptions(data)
     data = update_documentation(data)
     data = update_needed(data)
     output = ''.join(data)

src/AOs/ASSUMPTIONS.rst

@@ -1 +0,0 @@
-* The AO coefficients in the EZFIO files are not necessarily normalized and are normalized after reading

src/AOs/README.rst

@@ -27,9 +27,6 @@ the two electron integrals.
 Assumptions
 ===========
 
-.. Do not edit this section. It was auto-generated from the
-.. NEEDED_MODULES_CHILDREN file by the `update_README.py` script.
-
 * The AO coefficients in the EZFIO files are not necessarily normalized and are normalized after reading
 
 

src/Bitmask/ASSUMPTIONS.rst

@@ -1,8 +0,0 @@
-``bit_kind_shift``, ``bit_kind_size`` and ``bit_kind`` are coherent:
-
-.. code_block:: fortran
-
-  2**bit_kind_shift = bit_kind_size
-  bit_kind = bit_kind_size / 8
-
-

src/CIS/ASSUMPTIONS.rst

@@ -1 +0,0 @@
-* The molecular orbitals are assumed orthonormal

src/CIS/README.rst

@@ -4,10 +4,6 @@ CIS Module
 
 Assumptions
 ===========
-
-.. Do not edit this section. It was auto-generated from the
-.. NEEDED_MODULES_CHILDREN file by the `update_README.py` script.
-
 * The molecular orbitals are assumed orthonormal
 
 

src/Determinants/ASSUMPTIONS.rst

@@ -1,7 +0,0 @@
-* The MOs are orthonormal
-* All the determinants have the same number of electrons
-* The determinants are orthonormal
-* The number of generator determinants <= the number of determinants
-* All the determinants in the H_apply buffer are supposed to be different from the 
-  wave function determinants
-* All the determinants in the H_apply buffer are supposed to be unique

src/Electrons/ASSUMPTIONS.rst

@@ -1,4 +0,0 @@
-* ``elec_num`` >= 0
-* ``elec_alpha_num`` >= 0
-* ``elec_beta_num`` >= 0
-* ``elec_alpha_num`` >= ``elec_beta_num``

src/Generators_CAS/ASSUMPTIONS.rst

@@ -1 +0,0 @@
-The active space is defined by the ``reference_bitmask``.

src/MOs/ASSUMPTIONS.rst

@@ -1,4 +0,0 @@
-ASSUMPTONS
-==========
-
-* The AO basis functions are normalized.

src/Perturbation/ASSUMPTIONS.rst

@@ -1,6 +0,0 @@
-* This is not allowed:
-
-  subroutine &
-    pt2_....
-
-

src/Perturbation/README.rst

@@ -58,24 +58,15 @@ Ndet
 N_st
   Number of states
 
-
-
-
-
 Assumptions
 ===========
 
-.. Do not edit this section. It was auto-generated from the
-.. NEEDED_MODULES file.
-
 * This is not allowed:
 
   subroutine &
     pt2_....
 
 
-
-
 Documentation
 =============
 

src/Properties/ASSUMPTIONS.rst

@@ -1 +0,0 @@
-THIS FILE HAS TO BE FILLED