corrections in config

M3RG-IITD · Jul 16, 2023 · 495285d · 495285d
1 parent 2a3055a
commit 495285d
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Showing 6 changed files with 6 additions and 6 deletions.
diff --git a/configs/allegro/3bpa_lips/config.yaml b/configs/allegro/3bpa_lips/config.yaml
@@ -156,7 +156,7 @@ early_stopping_upper_bounds:
 
 # loss function
 loss_coeffs:                                                                        
-  forces: 6889                                                                     # if using PerAtomMSELoss, a default weight of 1:1 on each should work well
+  forces: 1                                                                    # if using PerAtomMSELoss, a default weight of 1:1 on each should work well
   total_energy:                                                                    
     - 1
     - PerAtomMSELoss

diff --git a/configs/allegro/lips/lips.yaml b/configs/allegro/lips/lips.yaml
@@ -157,7 +157,7 @@ early_stopping_upper_bounds:
 
 # loss function
 loss_coeffs:                                                                        
-  forces: 6889                                                                     # if using PerAtomMSELoss, a default weight of 1:1 on each should work well
+  forces: 1                                                                   # if using PerAtomMSELoss, a default weight of 1:1 on each should work well
   total_energy:                                                                    
     - 1
     - PerAtomMSELoss

diff --git a/configs/allegro/lips/lips_xyz.yaml b/configs/allegro/lips/lips_xyz.yaml
@@ -152,7 +152,7 @@ early_stopping_upper_bounds:
 
 # loss function
 loss_coeffs:                                                                        
-  forces: 6889                                                                     # if using PerAtomMSELoss, a default weight of 1:1 on each should work well
+  forces: 1                                                                    # if using PerAtomMSELoss, a default weight of 1:1 on each should work well
   total_energy:                                                                    
     - 1
     - PerAtomMSELoss

diff --git a/configs/nequip/3bpa_lips/3bpa_lips.yaml b/configs/nequip/3bpa_lips/3bpa_lips.yaml
@@ -156,7 +156,7 @@ early_stopping_upper_bounds:
 
 # loss function
 loss_coeffs:                                                                        
-  forces: 6889                                                                     # if using PerAtomMSELoss, a default weight of 1:1 on each should work well
+  forces: 1                                                                   # if using PerAtomMSELoss, a default weight of 1:1 on each should work well
   total_energy:                                                                    
     - 1
     - PerAtomMSELoss

diff --git a/configs/nequip/lips/lips.yaml b/configs/nequip/lips/lips.yaml
@@ -111,7 +111,7 @@ early_stopping_upper_bounds:
 
 # loss function
 loss_coeffs:                                                                        
-  forces: 6889                                                                     # if using PerAtomMSELoss, a default weight of 1:1 on each should work well
+  forces: 1                                                                     # if using PerAtomMSELoss, a default weight of 1:1 on each should work well
   total_energy:                                                                    
     - 1
     - PerAtomMSELoss

diff --git a/configs/nequip/lips/lips_xyz.yaml b/configs/nequip/lips/lips_xyz.yaml
@@ -123,7 +123,7 @@ early_stopping_upper_bounds:
 
 # loss function
 loss_coeffs:                                                                        
-  forces: 6889                                                                     # if using PerAtomMSELoss, a default weight of 1:1 on each should work well
+  forces: 1                                                                    # if using PerAtomMSELoss, a default weight of 1:1 on each should work well
   total_energy:                                                                    
     - 1
     - PerAtomMSELoss