Skip to content

Commit

Permalink
some updates
Browse files Browse the repository at this point in the history
  • Loading branch information
Ang Gao committed Jan 24, 2022
1 parent c33199f commit 5a9c687
Show file tree
Hide file tree
Showing 71 changed files with 25,426 additions and 85,181 deletions.
5 changes: 4 additions & 1 deletion MDcode/BP/build/models/G4_parameters_HHO.txt
Original file line number Diff line number Diff line change
@@ -1,4 +1,7 @@
0 0.001 -1.0 4.0
0 0.001 1.0 4.0
0 0.030 -1.0 1.0
0 0.030 1.0 1.0
0 0.030 1.0 1.0
0 0.070 -1.0 1.0
0 0.070 1.0 1.0
0 0.200 1.0 1.0
Binary file modified MDcode/BP/build/models/force_peturb_H.pt
Binary file not shown.
Binary file modified MDcode/BP/build/models/force_peturb_O.pt
Binary file not shown.
Binary file modified MDcode/BP/build/models/traced_trained_model.pt
Binary file not shown.
Binary file modified MDcode/BP/build/models/traced_trained_model_BP.pt
Binary file not shown.
Binary file modified MDcode/BP/build/models/traced_wannier_GT.pt
Binary file not shown.
Binary file modified MDcode/BP/build/models/traced_wannier_peturb.pt
Binary file not shown.
24 changes: 12 additions & 12 deletions MDcode/BP/build/models/wannier_GT_target_scale.txt
Original file line number Diff line number Diff line change
@@ -1,12 +1,12 @@
-5.146395564079284668e-01
-2.348178774118423462e-01
-1.828294098377227783e-01
-1.910037972265854478e-04
9.027940034866333008e-01
-2.199792563915252686e-01
5.140157938003540039e-01
-2.342556715011596680e-01
-1.827847957611083984e-01
-1.839109172578901052e-04
1.904574222862720490e-02
9.287488460540771484e-01
-5.146403908729553223e-01
-2.348176240921020508e-01
-1.828314214944839478e-01
-1.909675047500059009e-04
9.027926921844482422e-01
-2.199743390083312988e-01
5.140148997306823730e-01
-2.342544645071029663e-01
-1.827775686979293823e-01
-1.847845123847946525e-04
1.904785446822643280e-02
9.287536144256591797e-01
6 changes: 3 additions & 3 deletions MDcode/BP/build/models/xH_scalefactor.txt
Original file line number Diff line number Diff line change
Expand Up @@ -18,9 +18,9 @@
2.147317677736282349e-01 3.044839948415756226e-02 4.492599964141845703e-01
1.598665118217468262e-02 3.840890130959451199e-04 6.960529834032058716e-02
7.262247055768966675e-02 2.166320104151964188e-03 1.792940050363540649e-01
4.494993388652801514e-01 5.399969965219497681e-02 1.099349975585937500e+00
4.494993388652801514e-01 5.399969965219497681e-02 1.099349975585937500e+00
4.494993388652801514e-01 5.399969965219497681e-02 1.099349975585937500e+00
3.615435911342501640e-03 8.589369826950132847e-06 2.942549996078014374e-02
2.373651415109634399e-02 6.988130189711228013e-05 6.126119941473007202e-02
2.508892212063074112e-03 3.488779931615226815e-09 1.317910011857748032e-02
2.883756533265113831e-02 1.686119940131902695e-04 7.898300141096115112e-02
3.555164858698844910e-02 5.165920127183198929e-03 1.133529990911483765e-01
1.025849673897027969e-02 1.014419976854696870e-04 5.641280114650726318e-02
Expand Down
5 changes: 4 additions & 1 deletion MDcode/SCFNN/build/models/G4_parameters_HHO.txt
Original file line number Diff line number Diff line change
@@ -1,4 +1,7 @@
0 0.001 -1.0 4.0
0 0.001 1.0 4.0
0 0.030 -1.0 1.0
0 0.030 1.0 1.0
0 0.030 1.0 1.0
0 0.070 -1.0 1.0
0 0.070 1.0 1.0
0 0.200 1.0 1.0
Binary file modified MDcode/SCFNN/build/models/force_peturb_H.pt
Binary file not shown.
Binary file modified MDcode/SCFNN/build/models/force_peturb_O.pt
Binary file not shown.
Binary file modified MDcode/SCFNN/build/models/traced_trained_model.pt
Binary file not shown.
Binary file not shown.
Binary file modified MDcode/SCFNN/build/models/traced_wannier_GT.pt
Binary file not shown.
Binary file modified MDcode/SCFNN/build/models/traced_wannier_peturb.pt
Binary file not shown.
24 changes: 12 additions & 12 deletions MDcode/SCFNN/build/models/wannier_GT_target_scale.txt
Original file line number Diff line number Diff line change
@@ -1,12 +1,12 @@
-5.146395564079284668e-01
-2.348178774118423462e-01
-1.828294098377227783e-01
-1.910037972265854478e-04
9.027940034866333008e-01
-2.199792563915252686e-01
5.140157938003540039e-01
-2.342556715011596680e-01
-1.827847957611083984e-01
-1.839109172578901052e-04
1.904574222862720490e-02
9.287488460540771484e-01
-5.146403908729553223e-01
-2.348176240921020508e-01
-1.828314214944839478e-01
-1.909675047500059009e-04
9.027926921844482422e-01
-2.199743390083312988e-01
5.140148997306823730e-01
-2.342544645071029663e-01
-1.827775686979293823e-01
-1.847845123847946525e-04
1.904785446822643280e-02
9.287536144256591797e-01
6 changes: 3 additions & 3 deletions MDcode/SCFNN/build/models/xH_scalefactor.txt
Original file line number Diff line number Diff line change
Expand Up @@ -18,9 +18,9 @@
2.147317677736282349e-01 3.044839948415756226e-02 4.492599964141845703e-01
1.598665118217468262e-02 3.840890130959451199e-04 6.960529834032058716e-02
7.262247055768966675e-02 2.166320104151964188e-03 1.792940050363540649e-01
4.494993388652801514e-01 5.399969965219497681e-02 1.099349975585937500e+00
4.494993388652801514e-01 5.399969965219497681e-02 1.099349975585937500e+00
4.494993388652801514e-01 5.399969965219497681e-02 1.099349975585937500e+00
3.615435911342501640e-03 8.589369826950132847e-06 2.942549996078014374e-02
2.373651415109634399e-02 6.988130189711228013e-05 6.126119941473007202e-02
2.508892212063074112e-03 3.488779931615226815e-09 1.317910011857748032e-02
2.883756533265113831e-02 1.686119940131902695e-04 7.898300141096115112e-02
3.555164858698844910e-02 5.165920127183198929e-03 1.133529990911483765e-01
1.025849673897027969e-02 1.014419976854696870e-04 5.641280114650726318e-02
Expand Down
5 changes: 4 additions & 1 deletion MDcode/finitefield/build/models/G4_parameters_HHO.txt
Original file line number Diff line number Diff line change
@@ -1,4 +1,7 @@
0 0.001 -1.0 4.0
0 0.001 1.0 4.0
0 0.030 -1.0 1.0
0 0.030 1.0 1.0
0 0.030 1.0 1.0
0 0.070 -1.0 1.0
0 0.070 1.0 1.0
0 0.200 1.0 1.0
Binary file modified MDcode/finitefield/build/models/force_peturb_H.pt
Binary file not shown.
Binary file modified MDcode/finitefield/build/models/force_peturb_O.pt
Binary file not shown.
Binary file modified MDcode/finitefield/build/models/traced_trained_model.pt
Binary file not shown.
Binary file not shown.
Binary file modified MDcode/finitefield/build/models/traced_wannier_GT.pt
Binary file not shown.
Binary file modified MDcode/finitefield/build/models/traced_wannier_peturb.pt
Binary file not shown.
24 changes: 12 additions & 12 deletions MDcode/finitefield/build/models/wannier_GT_target_scale.txt
Original file line number Diff line number Diff line change
@@ -1,12 +1,12 @@
-5.146395564079284668e-01
-2.348178774118423462e-01
-1.828294098377227783e-01
-1.910037972265854478e-04
9.027940034866333008e-01
-2.199792563915252686e-01
5.140157938003540039e-01
-2.342556715011596680e-01
-1.827847957611083984e-01
-1.839109172578901052e-04
1.904574222862720490e-02
9.287488460540771484e-01
-5.146403908729553223e-01
-2.348176240921020508e-01
-1.828314214944839478e-01
-1.909675047500059009e-04
9.027926921844482422e-01
-2.199743390083312988e-01
5.140148997306823730e-01
-2.342544645071029663e-01
-1.827775686979293823e-01
-1.847845123847946525e-04
1.904785446822643280e-02
9.287536144256591797e-01
6 changes: 3 additions & 3 deletions MDcode/finitefield/build/models/xH_scalefactor.txt
Original file line number Diff line number Diff line change
Expand Up @@ -18,9 +18,9 @@
2.147317677736282349e-01 3.044839948415756226e-02 4.492599964141845703e-01
1.598665118217468262e-02 3.840890130959451199e-04 6.960529834032058716e-02
7.262247055768966675e-02 2.166320104151964188e-03 1.792940050363540649e-01
4.494993388652801514e-01 5.399969965219497681e-02 1.099349975585937500e+00
4.494993388652801514e-01 5.399969965219497681e-02 1.099349975585937500e+00
4.494993388652801514e-01 5.399969965219497681e-02 1.099349975585937500e+00
3.615435911342501640e-03 8.589369826950132847e-06 2.942549996078014374e-02
2.373651415109634399e-02 6.988130189711228013e-05 6.126119941473007202e-02
2.508892212063074112e-03 3.488779931615226815e-09 1.317910011857748032e-02
2.883756533265113831e-02 1.686119940131902695e-04 7.898300141096115112e-02
3.555164858698844910e-02 5.165920127183198929e-03 1.133529990911483765e-01
1.025849673897027969e-02 1.014419976854696870e-04 5.641280114650726318e-02
Expand Down
Loading

0 comments on commit 5a9c687

Please sign in to comment.