Add histogram-making functions and plotting scripts

2020-05-15 14:55:21 +02:00
parent 6ffcf1a98c
commit 15e9fdb5d4
5 changed files with 236 additions and 0 deletions
@@ -0,0 +1,156 @@
+/**********************************************************
+
+This software is part of J.-S. Caux's ABACUS library.
+
+Copyright (c) J.-S. Caux.
+
+-----------------------------------------------------------
+
+File:  Histogram_RAW_File.cc
+
+Purpose:  Produce a histogram of matrix elements from a RAW file.
+
+***********************************************************/
+
+#include "ABACUS.h"
+
+using namespace std;
+using namespace ABACUS;
+
+
+int main(int argc, char* argv[])
+{
+  if (argc != 7) {
+    cout << "Argument needed: rawfile, iKmin, iKmax, omega, domega, logscale_int" << endl;
+    ABACUSerror("");
+  }
+
+  int n = 1;
+  const char* rawfilename = argv[n++];
+  int iKmin = atoi(argv[n++]);
+  int iKmax = atoi(argv[n++]);
+  DP om = atof(argv[n++]);
+  DP dom = atof(argv[n++]);
+  int logscale_int = atoi(argv[n++]); // see below for meaning
+
+  ifstream RAW_infile;
+  RAW_infile.open(rawfilename);
+  if (RAW_infile.fail()) {
+    cout << rawfilename << endl;
+    ABACUSerror("Could not open RAW_infile... ");
+  }
+
+  stringstream outfilename;
+  string outfilename_string;
+  outfilename << rawfilename << "_hist";
+  if (iKmin != iKmax) outfilename << "_iKmin_" << iKmin << "_iKmax_" << iKmax;
+  outfilename << "_om_" << om << "_dom_" << dom << "_li_" << logscale_int;
+  outfilename_string = outfilename.str();
+  const char* outfilename_c_str = outfilename_string.c_str();
+
+  ofstream outfile;
+  outfile.open(outfilename_c_str);
+  outfile.precision(16);
+
+
+
+  // Use the binning in current ABACUS version's threads,
+  // with logscale unit = 2^{1/64} \simeq 1.01
+  int npts = 6400/logscale_int;
+  DP logscale_used = logscale_int * (1.0/64) * log(2.0);
+
+  DP omega_min = om - 0.5* dom;
+  DP omega_max = om + 0.5* dom;
+
+  DP omega;
+  int iK;
+  DP FF;
+  DP dev;
+  string label;
+
+  Vect<int> nFF (0, npts);
+
+  int nread = 0;
+  int nfound = 0;
+  int il = 0;
+
+  while (RAW_infile.peek() != EOF) {
+    RAW_infile >> omega >> iK >> FF >> dev >> label;
+
+    nread++;
+
+    if (iK >= iKmin && iK <= iKmax && omega > omega_min && omega < omega_max) {
+      nfound++;
+      il = int(-log(FF*FF)/logscale_used);
+      if (il < 0) il=0;
+      if (il > npts) continue;
+      nFF[il] += 1;
+    }
+  }
+  RAW_infile.close();
+
+  if (nfound == 0) {
+    cout << "Didn't find any contributing state." << endl;
+    return(1)
+  }
+
+  for (int i = 0; i < npts; ++i) {
+    if (i > 0) outfile << endl;
+    outfile << i << "\t" << exp(-i * logscale_used) << "\t" << nFF[i] << "\t" << DP(nFF[i])/nfound;
+  }
+  outfile.close();
+
+
+  // Now that we know the total number of entries, produce animated data:
+  // the total number of entries is sliced into 100 pieces
+  // and binned in the same way as before
+
+  int stepsize = nfound/100;
+
+  outfilename << "_sliced";
+  outfilename_string = outfilename.str();
+  const char* sliced_c_str = outfilename_string.c_str();
+
+  ofstream sliced_file;
+  sliced_file.open(sliced_c_str);
+  sliced_file.precision(16);
+
+  RAW_infile.open(rawfilename);
+  if (RAW_infile.fail()) {
+    cout << rawfilename << endl;
+    ABACUSerror("Could not open RAW_infile... ");
+  }
+
+  nread = 0;
+  nfound = 0;
+  int nsteps = 0;
+  for (int i = 0; i < npts; ++i) nFF[i] = 0;
+
+  while (RAW_infile.peek() != EOF) {
+    RAW_infile >> omega >> iK >> FF >> dev >> label;
+
+    nread++;
+
+    if (iK >= iKmin && iK <= iKmax && omega > omega_min && omega < omega_max) {
+      nfound++;
+      il = int(-log(FF*FF)/logscale_used);
+      if (il < 0) il=0;
+      if (il > npts) continue;
+      nFF[il] += 1;
+    }
+
+    if (nfound == stepsize) {// || RAW_infile.peek() == EOF) {
+      if (nsteps++ > 0) sliced_file << endl;
+      sliced_file << DP(nFF[0])/stepsize;
+      for (int i = 1; i < npts; ++i) sliced_file << "\t" << DP(nFF[i])/stepsize;
+      for (int i = 0; i < npts; ++i) nFF[i] = 0;
+      nfound = 0;
+    }
+  }
+
+  RAW_infile.close();
+
+  sliced_file.close();
+
+  return(0);
+}