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Tadah
MODELS
Commits
66d8b5dd
Commit
66d8b5dd
authored
1 month ago
by
Marcin Kirsz
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Edit dm_func.h
parent
032eda43
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1 merge request
!20
Patch/bf grid m sqrt
Pipeline
#53378
passed
1 month ago
Stage: build_debug
Stage: run_unit_tests
Stage: build_release
Stage: trigger
Pipeline: MLIP
#53381
Pipeline: MD
#53380
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include/tadah/models/descriptors/dm/dm_func.h
+8
-5
8 additions, 5 deletions
include/tadah/models/descriptors/dm/dm_func.h
with
8 additions
and
5 deletions
include/tadah/models/descriptors/dm/dm_func.h
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8
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5
View file @
66d8b5dd
...
...
@@ -30,12 +30,13 @@ public:
* @brief Implements an embedding function of the form: \f$ s \rho \log(c \rho) \f$
*
* This class supports embedding functions characterized by two main parameters:
* - **SEMBFUNC**: Controls the depth, \f$ s \f$, of the embedding function.
* - **SEMBFUNC**: Controls the depth, \f$ s \f$, of the embedding function.
* - **CEMBFUNC**: Determines the x-intercept, with the x-intercept at \f$ 1/c \f$.
*
* Require: size(**SEMBFUNC**)=size(**CEMBFUNC**)=1
*
* The number of keys for these parameters must match the entries in the mEAD descriptor.
*
* @note Ensure the configuration keys match the descriptor requirements.
*/
class
F_RLR
:
public
F_Base
{
private:
...
...
@@ -59,7 +60,9 @@ public:
* Optional parameter:
* - **SEMBFUNC**: Controls the strength, \f$ s \f$, of the embedding function.
* If no; value is provided, the default is 1.
*
*
* Require: size(**SEMBFUNC**)=(0 or 1) and size(**CEMBFUNC**)=0
*
*/
class
F_SQRT
:
public
F_Base
{
private:
...
...
@@ -72,7 +75,7 @@ public:
* @param conf Reference to a Config instance.
*
* The constructor extracts or initializes relevant parameter for the model from
* the provided configuration.
* the provided configuration.
SEMBFUNC is set to 1 if not specified in the Config.
*/
F_SQRT
(
Config
&
conf
);
...
...
@@ -80,7 +83,7 @@ public:
* @brief Default constructor for F_SQRT.
*
* This version does not initialize from a Config object. Users must
* manually set sgrid if this constructor is used.
* manually set sgrid if this constructor is used.
SEMBFUNC is set to 1.
*/
F_SQRT
();
...
...
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