first release

example/testplot.py

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+#!/usr/bin/env python
+import numpy as np
+import matplotlib.pyplot as plt
+
+# total ND
+fig, ax = plt.subplots(nrows=2, sharex=True)
+d = np.loadtxt("test.sq")
+ax[0].plot(d[:, 0], d[:, -1], "-", label="dump2sq")
+d = np.loadtxt("rmcp_total_nd.sq")
+ax[0].plot(d[:, 0], d[:, 1], "-", label="rmc")
+ax[0].legend(loc="best")
+
+# total XRD
+d = np.loadtxt("test.sq")
+ax[1].plot(d[:, 0], d[:, -2], "-", label="dump2sq")
+d = np.loadtxt("rmcp_total_xrd.sq")
+ax[1].plot(d[:, 0], d[:, 1], "-", label="rmc")
+ax[1].legend(loc="best")
+
+
+
+# ppcf
+rmc = np.loadtxt("rmcp.ppcf")
+dum = np.loadtxt("test.gr")
+fig, ax = plt.subplots(nrows=rmc.shape[1]-1, sharex=True)
+for i in range(1, rmc.shape[1]):
+    ax[i-1].plot(dum[:, 0], dum[:, i], label="dump2sq")
+    ax[i-1].plot(rmc[:, 0], rmc[:, i], label="rmp")
+
+# ppcf
+rmc = np.loadtxt("rmcp.psq")
+dum = np.loadtxt("test.sq")
+fig, ax = plt.subplots(nrows=rmc.shape[1]-1, sharex=True)
+for i in range(1, rmc.shape[1]):
+    ax[i-1].plot(dum[:, 0], dum[:, i], label="dump2sq")
+    ax[i-1].plot(rmc[:, 0], rmc[:, i], label="rmp")
+
+
+
+plt.show()