change force metrics

src/experimental/stagag.nim

@@ -1684,6 +1684,11 @@ proc resetMeasure =
   for i in 0..<ffStats.len:
     ffStats[i].clear
 
+proc fstats(s: RunningStat): string =
+  let f2 = sqrt(s.variance)
+  let f4 = f2*sqrt(sqrt((s.kurtosis+3.0)))
+  result = &"{s.mean:8.6f}  max {s.max:8.6f}  std {f2:8.6f}  m4 {f4:8.6f}"
+
 proc measure =
   #threads:
   #  g.rephase
@@ -1703,20 +1708,29 @@ proc measure =
   #  let k = nt2 - 1 - i
   #  echo i, " ", picorr[k].mean, " ", picorr[k].standardDeviationS
   #discard
-  let sf = 1.0/(lat.len.float*lo.physVol.float*8.0)  # 8 SU3 generators
+  #let sf = 1.0/(lat.len.float*lo.physVol.float*8.0)  # 8 SU3 generators
+  var gfs: RunningStat
   for i in 0..<gfList.len:
     #let f2 = momvs[gfList[i]].obj.norm2
     #gfStats.push gfeList[i].obj*sqrt(sf*f2)
-    let gfs = momvs[gfList[i]].obj.rmsStats gfeList[i].obj
-    gfStats += gfs
-  echo &"RMS gforce: {gfStats.mean:8.6f}  max {gfStats.max:8.6f}  std {gfStats.standardDeviationS:8.6f}"
+    #let gfs = momvs[gfList[i]].obj.rmsStats gfeList[i].obj
+    let t = momvs[gfList[i]].obj.rmsStats (1.5/gfList.len)  # 1.5=sqrt(18/8)
+    gfs += t
+  echo "GF: ", fstats(gfs)
+  gfStats += gfs
   for i in 0..<ffList.len:
+    var ffs: RunningStat
     for j in 0..<ffList[i].len:
       #let f2 = momvs[ffList[i][j]].obj.norm2
       #ffStats[i].push abs(ffeList[i][j].obj)*sqrt(sf*f2)
-      let ffs = momvs[ffList[i][j]].obj.rmsStats abs(ffeList[i][j].obj)
-      ffStats[i] += ffs
-    echo &"RMS fforce {i}: {ffStats[i].mean:8.6f}  max {ffStats[i].max:8.6f}  std {ffStats[i].standardDeviationS:8.6f}"
+      #let ffs = momvs[ffList[i][j]].obj.rmsStats abs(ffeList[i][j].obj)
+      let t = momvs[ffList[i][j]].obj.rmsStats (1.5/ffList[i].len)  # 1.5=sqrt(18/8)
+      ffs += t
+    echo "FF", i, ": ", fstats(ffs)
+    ffStats[i] += ffs
+  echo "TGF: ", fstats(gfStats)
+  for i in 0..<ffList.len:
+    echo "TFF", i, ": ", fstats(ffStats[i])
 
 case md
 of "aba": setupMDaba()