update raw data

simongravelle · Jan 25, 2024 · 9e1480d · 9e1480d
1 parent 5b04b75
commit 9e1480d
Show file tree

Hide file tree

Showing 58 changed files with 46 additions and 76 deletions.
diff --git a/docs/source/figures/illustrations/bulk-water/effect_L_on_R1-dark.png b/docs/source/figures/illustrations/bulk-water/effect_L_on_R1-dark.png
diff --git a/docs/source/figures/illustrations/bulk-water/effect_L_on_R1-light.png b/docs/source/figures/illustrations/bulk-water/effect_L_on_R1-light.png
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/analysis.py b/examples/illustrations/bulk-water-tip4p-vs-size/analysis.py
@@ -18,7 +18,7 @@
 R1_intra = 1e-5
 R1_inter = 1e-5
 while run:
-    for N in [25, 39, 62, 99, 158, 251, 398, 631, 1002, 1589, 2521, 6500, 10000]: 
+    for N in [25, 39, 62, 99, 158, 251, 398, 631, 1002, 1589, 6500, 10000]: # 2521
         for n in range(20):
             # Import MDA universe
             datapath = path + "N"+str(N)+"/"

diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N10000_inter_n0.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N10000_inter_n0.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N10000_intra_n0.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N10000_intra_n0.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N1002_inter_n0.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N1002_inter_n0.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N1002_inter_n1.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N1002_inter_n1.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N1002_intra_n0.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N1002_intra_n0.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N1002_intra_n1.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N1002_intra_n1.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N1589_inter_n0.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N1589_inter_n0.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N1589_intra_n0.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N1589_intra_n0.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_inter_n1.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_inter_n1.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_inter_n2.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_inter_n2.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_inter_n3.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_inter_n3.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_inter_n4.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_inter_n4.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_inter_n5.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_inter_n5.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_intra_n1.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_intra_n1.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_intra_n2.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_intra_n2.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_intra_n3.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_intra_n3.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_intra_n4.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_intra_n4.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_intra_n5.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N158_intra_n5.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_inter_n0.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_inter_n0.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_inter_n1.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_inter_n1.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_inter_n2.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_inter_n2.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_inter_n3.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_inter_n3.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_inter_n4.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_inter_n4.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_inter_n5.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_inter_n5.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_intra_n0.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_intra_n0.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_intra_n1.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_intra_n1.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_intra_n2.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_intra_n2.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_intra_n3.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_intra_n3.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_intra_n4.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_intra_n4.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_intra_n5.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N251_intra_n5.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N2521_inter_n0.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N2521_inter_n0.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N2521_intra_n0.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N2521_intra_n0.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_inter_n0.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_inter_n0.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_inter_n1.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_inter_n1.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_inter_n2.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_inter_n2.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_inter_n3.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_inter_n3.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_inter_n4.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_inter_n4.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_inter_n5.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_inter_n5.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_intra_n0.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_intra_n0.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_intra_n1.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_intra_n1.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_intra_n2.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_intra_n2.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_intra_n3.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_intra_n3.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_intra_n4.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_intra_n4.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_intra_n5.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N398_intra_n5.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N631_inter_n0.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N631_inter_n0.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N631_inter_n1.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N631_inter_n1.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N631_inter_n2.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N631_inter_n2.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N631_inter_n3.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N631_inter_n3.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N631_intra_n0.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N631_intra_n0.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N631_intra_n1.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N631_intra_n1.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N631_intra_n2.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N631_intra_n2.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N631_intra_n3.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N631_intra_n3.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N6500_inter_n0.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N6500_inter_n0.npy
diff --git a/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N6500_intra_n0.npy b/examples/illustrations/bulk-water-tip4p-vs-size/raw_data/N6500_intra_n0.npy
diff --git a/examples/illustrations/bulk-water.ipynb b/examples/illustrations/bulk-water.ipynb