update charge_occ data

Erastova-group · May 15, 2024 · edb2c14 · edb2c14
1 parent b0eadfb
commit edb2c14
Showing 1 changed file with 21 additions and 21 deletions.
diff --git a/package/ClayCode/data/data/UCS/charge_occ.csv b/package/ClayCode/data/data/UCS/charge_occ.csv
@@ -1,21 +1,21 @@
-sheet,value,charge,occ,solv,em_freeze
-T,D21,4,8,True,False
-O,D21,3,4,True,False
-T,T21,4,8,True,False
-O,T21,2,6,True,False
-T,D11,4,8,False,False
-O,D11,0,0,False,False
-T,T11,4,8,False,False
-O,T11,0,0,False,False
-T,L21,0,0,True,True
-O,L21,2,6,True,True
-T,L31,0,0,True,True
-O,L31,3,4,True,True
-T,SEP,0,24,False,False
-O,SEP,3,8,False,False
-T,CD21,4,8,True,False
-O,CD21,3,4,True,False
-T,CD11,4,4,False,False
-O,CD11,3,4,False,False
-T,TD21,4,8,True,False
-O,TD21,3,4,True,False
+sheet,value,charge,occ,solv,em_freeze,em_constrain_clay_dist,em_n_runs
+T,D21,4,8,True,False,ClayNoOHSheets,2
+O,D21,3,4,True,False,ClayNoOHSheets,2
+T,T21,4,8,True,False,ClayNoOHSheets,2
+O,T21,2,6,True,False,ClayNoOHSheets,2
+T,D11,4,8,False,False,ClaySheets,1
+O,D11,0,0,False,False,ClaySheets,1
+T,T11,4,8,False,False,ClaySheets,1
+O,T11,0,0,False,False,ClaySheets,1
+T,L21,0,0,True,False,ClaySheets,1
+O,L21,2,6,True,False,ClaySheets,1
+T,L31,0,0,True,False,ClaySheets,1
+O,L31,3,4,True,False,ClaySheets,1
+T,SEP,0,24,False,False,ClayNoOHSheets,1
+O,SEP,3,8,False,False,ClayNoOHSheets,1
+T,CD21,4,8,True,False,ClayNoOHSheets,2
+O,CD21,3,4,True,False,ClayNoOHSheets,2
+T,CD11,4,4,False,False,ClaySheets,1
+O,CD11,3,4,False,False,ClaySheets,1
+T,TD21,4,8,True,False,ClayNoOHSheets,2
+O,TD21,3,4,True,False,ClayNoOHSheets,2