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Rename datatype buffer -> buffered

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q-posev 2022-10-04 15:56:19 +02:00
parent 7b95a0195a
commit cb7956ef83
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GPG Key ID: 7C477A462FBF9B87
2 changed files with 19 additions and 19 deletions
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4
tools/generator_tools.py
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@ -499,7 +499,7 @@ def get_dtype_dict (dtype: str, target: str, rank = None, int_len_printf = None)
f'group_{target}_format_scanf' : 'lf', f'group_{target}_format_scanf' : 'lf',
f'group_{target}_py_dtype' : 'float' f'group_{target}_py_dtype' : 'float'
}) })
elif 'buffer' in dtype: elif 'buffered' in dtype:
dtype_dict.update({ dtype_dict.update({
'default_prec' : '64', 'default_prec' : '64',
f'group_{target}_dtype' : 'double', f'group_{target}_dtype' : 'double',
@ -780,7 +780,7 @@ def split_dset_dict_detailed (datasets: dict) -> tuple:
# split datasets in numeric- and string- based # split datasets in numeric- and string- based
if 'str' in datatype: if 'str' in datatype:
dset_string_dict[k] = tmp_dict dset_string_dict[k] = tmp_dict
elif 'buffer' in datatype: elif 'buffered' in datatype:
dset_buffer_dict[k] = tmp_dict dset_buffer_dict[k] = tmp_dict
elif is_sparse: elif is_sparse:
dset_sparse_dict[k] = tmp_dict dset_sparse_dict[k] = tmp_dict

34
trex.org
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@ -40,7 +40,7 @@ the [[./examples.html][examples]]. The ~sparse~ data representation implies the
of indices and values. of indices and values.
For the Configuration Interfaction (CI) and Configuration State Function (CSF) For the Configuration Interfaction (CI) and Configuration State Function (CSF)
groups, the ~buffer~ data type is introduced, which allows similar incremental groups, the ~buffered~ data type is introduced, which allows similar incremental
I/O as for ~sparse~ data but without the need to write indices of the sparse values. I/O as for ~sparse~ data but without the need to write indices of the sparse values.
For determinant lists (integer bit fields), the ~special~ attribute is present in the type. For determinant lists (integer bit fields), the ~special~ attribute is present in the type.
@ -702,11 +702,11 @@ prim_factor =
An illustration on how to read determinants is presented in the [[./examples.html][examples]]. An illustration on how to read determinants is presented in the [[./examples.html][examples]].
#+NAME: determinant #+NAME: determinant
| Variable | Type | Dimensions | Description | | Variable | Type | Dimensions | Description |
|---------------+----------------+---------------------+--------------------------------------------------------| |---------------+------------------+---------------------+--------------------------------------------------------|
| ~num~ | ~dim readonly~ | | Number of determinants | | ~num~ | ~dim readonly~ | | Number of determinants |
| ~list~ | ~int special~ | ~(determinant.num)~ | List of determinants as integer bit fields | | ~list~ | ~int special~ | ~(determinant.num)~ | List of determinants as integer bit fields |
| ~coefficient~ | ~float buffer~ | ~(determinant.num)~ | Coefficients of the determinants from the CI expansion | | ~coefficient~ | ~float buffered~ | ~(determinant.num)~ | Coefficients of the determinants from the CI expansion |
#+CALL: json(data=determinant, title="determinant") #+CALL: json(data=determinant, title="determinant")
@ -714,9 +714,9 @@ prim_factor =
:results: :results:
#+begin_src python :tangle trex.json #+begin_src python :tangle trex.json
"determinant": { "determinant": {
"num" : [ "dim readonly", [] ] "num" : [ "dim readonly" , [] ]
, "list" : [ "int special" , [ "determinant.num" ] ] , "list" : [ "int special" , [ "determinant.num" ] ]
, "coefficient" : [ "float buffer", [ "determinant.num" ] ] , "coefficient" : [ "float buffered", [ "determinant.num" ] ]
} , } ,
#+end_src #+end_src
:end: :end:
@ -738,11 +738,11 @@ prim_factor =
the basis of Slater determinants. the basis of Slater determinants.
#+NAME: csf #+NAME: csf
| Variable | Type | Dimensions | Description | | Variable | Type | Dimensions | Description |
|-------------------+----------------+-----------------------------+------------------------------------------------| |-------------------+------------------+-----------------------------+------------------------------------------------|
| ~num~ | ~dim readonly~ | | Number of CSFs | | ~num~ | ~dim readonly~ | | Number of CSFs |
| ~coefficient~ | ~float buffer~ | ~(csf.num)~ | Coefficients of the CSFs from the CI expansion | | ~coefficient~ | ~float buffered~ | ~(csf.num)~ | Coefficients of the CSFs from the CI expansion |
| ~det_coefficient~ | ~float sparse~ | ~(determinant.num,csf.num)~ | Projection on the determinant basis | | ~det_coefficient~ | ~float sparse~ | ~(determinant.num,csf.num)~ | Projection on the determinant basis |
#+CALL: json(data=csf, title="csf") #+CALL: json(data=csf, title="csf")
@ -750,9 +750,9 @@ prim_factor =
:results: :results:
#+begin_src python :tangle trex.json #+begin_src python :tangle trex.json
"csf": { "csf": {
"num" : [ "dim readonly", [] ] "num" : [ "dim readonly" , [] ]
, "coefficient" : [ "float buffer", [ "csf.num" ] ] , "coefficient" : [ "float buffered", [ "csf.num" ] ]
, "det_coefficient" : [ "float sparse", [ "csf.num", "determinant.num" ] ] , "det_coefficient" : [ "float sparse" , [ "csf.num", "determinant.num" ] ]
} , } ,
#+end_src #+end_src
:end: :end: