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update docs
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iProzd committed Nov 7, 2024
1 parent e09bf5a commit 5f53a46
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Showing 3 changed files with 281 additions and 241 deletions.
18 changes: 10 additions & 8 deletions source/api_c/include/c_api.h
Original file line number Diff line number Diff line change
Expand Up @@ -96,6 +96,7 @@ const char* DP_NlistCheckOK(DP_Nlist* dp);

/**
* @brief The deep potential base model.
* @since API version 24
**/
typedef struct DP_DeepBaseModel DP_DeepBaseModel;

Expand All @@ -109,6 +110,7 @@ extern void DP_DeleteDeepBaseModel(DP_DeepBaseModel* dp);

/**
* @brief The deep potential base model deviation.
* @since API version 24
**/
typedef struct DP_DeepBaseModelDevi DP_DeepBaseModelDevi;

Expand Down Expand Up @@ -561,8 +563,8 @@ extern void DP_DeepPotComputeNList2(DP_DeepPot* dp,
double* atomic_virial);

/**
* @brief Evaluate the energy, force and virial by using a DP spin model
* with the neighbor list. (double version)
* @brief Evaluate the energy, force, magnetic force and virial by using a DP
*spin model with the neighbor list. (double version)
* @version 2
* @param[in] dp The DP spin model to use.
* @param[in] nframes The number of frames.
Expand Down Expand Up @@ -660,8 +662,8 @@ extern void DP_DeepPotComputeNListf2(DP_DeepPot* dp,
float* atomic_virial);

/**
* @brief Evaluate the energy, force and virial by using a DP spin model
* with the neighbor list. (float version)
* @brief Evaluate the energy, force, magnetic force and virial by using a DP
*spin model with the neighbor list. (float version)
* @version 2
* @param[in] dp The DP spin model to use.
* @param[in] nframes The number of frames.
Expand Down Expand Up @@ -1138,8 +1140,8 @@ void DP_DeepPotModelDeviComputeNList2(DP_DeepPotModelDevi* dp,
double* atomic_virial);

/**
* @brief Evaluate the energy, force and virial by using a DP spin model
*deviation with neighbor list. (double version)
* @brief Evaluate the energy, force, magnetic force and virial by using a DP
*spin model deviation with neighbor list. (double version)
* @version 2
* @param[in] dp The DP model deviation to use.
* @param[in] nframes The number of frames. Only support 1 for now.
Expand Down Expand Up @@ -1236,8 +1238,8 @@ void DP_DeepPotModelDeviComputeNListf2(DP_DeepPotModelDevi* dp,
float* atomic_virial);

/**
* @brief Evaluate the energy, force and virial by using a DP spin model
*deviation with neighbor list. (float version)
* @brief Evaluate the energy, force, magnetic force and virial by using a DP
*spin model deviation with neighbor list. (float version)
* @version 2
* @param[in] dp The DP model deviation to use.
* @param[in] nframes The number of frames. Only support 1 for now.
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