delete yaml file

fftrainer_config_in_use.yaml

@@ -1,67 +0,0 @@
-model:
-  ff_block:
-  - act: gelu
-    out_mlp_dims:
-    - 256
-    - 4
-    post_mlp_dims:
-    - 256
-    - 256
-    - 1
-    pre_mlp_dims:
-    - 256
-    - 256
-    - 3
-    tanh_output: 20.0
-    type: MMBondedConj
-  - act: gelu
-    out_mlp_dims:
-    - 256
-    - 3
-    pre_mlp_dims:
-    - 256
-    - 256
-    - 3
-    type: ChargeVolume
-  - act: gelu
-    charge14: 0.5
-    disp_damping_factor: 120.0
-    fix_li_alpha: 1.0e-06
-    ind14: 0.5
-    li_damp_clip: 0.2
-    out_mlp_dims:
-    - 256
-    - 3
-    pol_damping_factor: 0.39
-    pre_mlp_dims:
-    - 256
-    - 256
-    - 3
-    s12: 1.5
-    type: Exp6Pol
-    vdw14: 0.5
-  graph_block:
-    feature_layer:
-      act: gelu
-      atom_embedding_dim: 32
-      edge_mlp_dims:
-      - 64
-      - 256
-      - 2
-      node_mlp_dims:
-      - 64
-      - 256
-      - 2
-    gnn_layer:
-      act: gelu
-      at_channels: 16
-      ffn_dims:
-      - 256
-      - 2
-      gnn_dims:
-      - 256
-      - 256
-      - 4
-      gnn_type: EGT
-      heads: 16
-      jk: cat