From 178cfc6fa9029eb22ee78deb0a18729d8c62a2e3 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Date: Tue, 22 Oct 2024 23:39:01 -0400 Subject: [PATCH] insert links to doc Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> --- deepmd/utils/argcheck.py | 23 +++++++++++++---------- 1 file changed, 13 insertions(+), 10 deletions(-) diff --git a/deepmd/utils/argcheck.py b/deepmd/utils/argcheck.py index c3fce807d5..239a6a5755 100644 --- a/deepmd/utils/argcheck.py +++ b/deepmd/utils/argcheck.py @@ -1397,16 +1397,19 @@ def descrpt_variant_type_args(exclude_hybrid: bool = False) -> Variant: link_se_atten_v2 = make_link( "se_atten_v2", "model[standard]/descriptor[se_atten_v2]" ) - doc_descrpt_type = "The type of the descritpor. See explanation below. \n\n\ -- `loc_frame`: Defines a local frame at each atom, and the compute the descriptor as local coordinates under this frame.\n\n\ -- `se_e2_a`: Used by the smooth edition of Deep Potential. The full relative coordinates are used to construct the descriptor.\n\n\ -- `se_e2_r`: Used by the smooth edition of Deep Potential. Only the distance between atoms is used to construct the descriptor.\n\n\ -- `se_e3`: Used by the smooth edition of Deep Potential. The full relative coordinates are used to construct the descriptor. Three-body embedding will be used by this descriptor.\n\n\ -- `se_a_tpe`: Used by the smooth edition of Deep Potential. The full relative coordinates are used to construct the descriptor. Type embedding will be used by this descriptor.\n\n\ -- `se_atten`: Used by the smooth edition of Deep Potential. The full relative coordinates are used to construct the descriptor. Attention mechanism will be used by this descriptor.\n\n\ -- `se_atten_v2`: Used by the smooth edition of Deep Potential. The full relative coordinates are used to construct the descriptor. Attention mechanism with new modifications will be used by this descriptor.\n\n\ -- `se_a_mask`: Used by the smooth edition of Deep Potential. It can accept a variable number of atoms in a frame (Non-PBC system). *aparam* are required as an indicator matrix for the real/virtual sign of input atoms. \n\n\ -- `hybrid`: Concatenate of a list of descriptors as a new descriptor." + link_se_a_mask = make_link( + "se_a_mask", "model[standard]/descriptor[se_a_mask]" + ) + doc_descrpt_type = f"The type of the descritpor. See explanation below. \n\n\ +- {link_lf}: Defines a local frame at each atom, and the compute the descriptor as local coordinates under this frame.\n\n\ +- {link_se_e2_a}: Used by the smooth edition of Deep Potential. The full relative coordinates are used to construct the descriptor.\n\n\ +- {link_se_e2_r}: Used by the smooth edition of Deep Potential. Only the distance between atoms is used to construct the descriptor.\n\n\ +- {link_se_e3}: Used by the smooth edition of Deep Potential. The full relative coordinates are used to construct the descriptor. Three-body embedding will be used by this descriptor.\n\n\ +- {link_se_a_tpe}: Used by the smooth edition of Deep Potential. The full relative coordinates are used to construct the descriptor. Type embedding will be used by this descriptor.\n\n\ +- {link_se_atten}: Used by the smooth edition of Deep Potential. The full relative coordinates are used to construct the descriptor. Attention mechanism will be used by this descriptor.\n\n\ +- {link_se_atten_v2}: Used by the smooth edition of Deep Potential. The full relative coordinates are used to construct the descriptor. Attention mechanism with new modifications will be used by this descriptor.\n\n\ +- {link_se_a_mask}: Used by the smooth edition of Deep Potential. It can accept a variable number of atoms in a frame (Non-PBC system). *aparam* are required as an indicator matrix for the real/virtual sign of input atoms. \n\n\ +- {link_hybrid}: Concatenate of a list of descriptors as a new descriptor." return Variant( "type",