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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}_py_dtype' : 'float'
})
elif 'buffer' in dtype:
elif 'buffered' in dtype:
dtype_dict.update({
'default_prec' : '64',
f'group_{target}_dtype' : 'double',
@ -780,7 +780,7 @@ def split_dset_dict_detailed (datasets: dict) -> tuple:
# split datasets in numeric- and string- based
if 'str' in datatype:
dset_string_dict[k] = tmp_dict
elif 'buffer' in datatype:
elif 'buffered' in datatype:
dset_buffer_dict[k] = tmp_dict
elif is_sparse:
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.
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.
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]].
#+NAME: determinant
| Variable | Type | Dimensions | Description |
|---------------+----------------+---------------------+--------------------------------------------------------|
| ~num~ | ~dim readonly~ | | Number of determinants |
| ~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 |
| Variable | Type | Dimensions | Description |
|---------------+------------------+---------------------+--------------------------------------------------------|
| ~num~ | ~dim readonly~ | | Number of determinants |
| ~list~ | ~int special~ | ~(determinant.num)~ | List of determinants as integer bit fields |
| ~coefficient~ | ~float buffered~ | ~(determinant.num)~ | Coefficients of the determinants from the CI expansion |
#+CALL: json(data=determinant, title="determinant")
@ -714,9 +714,9 @@ prim_factor =
:results:
#+begin_src python :tangle trex.json
"determinant": {
"num" : [ "dim readonly", [] ]
, "list" : [ "int special" , [ "determinant.num" ] ]
, "coefficient" : [ "float buffer", [ "determinant.num" ] ]
"num" : [ "dim readonly" , [] ]
, "list" : [ "int special" , [ "determinant.num" ] ]
, "coefficient" : [ "float buffered", [ "determinant.num" ] ]
} ,
#+end_src
:end:
@ -738,11 +738,11 @@ prim_factor =
the basis of Slater determinants.
#+NAME: csf
| Variable | Type | Dimensions | Description |
|-------------------+----------------+-----------------------------+------------------------------------------------|
| ~num~ | ~dim readonly~ | | Number of CSFs |
| ~coefficient~ | ~float buffer~ | ~(csf.num)~ | Coefficients of the CSFs from the CI expansion |
| ~det_coefficient~ | ~float sparse~ | ~(determinant.num,csf.num)~ | Projection on the determinant basis |
| Variable | Type | Dimensions | Description |
|-------------------+------------------+-----------------------------+------------------------------------------------|
| ~num~ | ~dim readonly~ | | Number of CSFs |
| ~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 |
#+CALL: json(data=csf, title="csf")
@ -750,9 +750,9 @@ prim_factor =
:results:
#+begin_src python :tangle trex.json
"csf": {
"num" : [ "dim readonly", [] ]
, "coefficient" : [ "float buffer", [ "csf.num" ] ]
, "det_coefficient" : [ "float sparse", [ "csf.num", "determinant.num" ] ]
"num" : [ "dim readonly" , [] ]
, "coefficient" : [ "float buffered", [ "csf.num" ] ]
, "det_coefficient" : [ "float sparse" , [ "csf.num", "determinant.num" ] ]
} ,
#+end_src
:end: