Multiple changed mostly focusing on active particle search

* Added optional active particle search via GRAPite.

* Fixed ETICS_DTSCF in the Makefile.

* Disabled ETICS_CEP by default.

* Renamed and improved the initialization Python script

init.py

@@ -0,0 +1,105 @@
+import numpy as np
+import argparse
+
+def gen_plum(N, seed=None, RMAX=10):
+    if not seed is None: np.random.seed(seed)
+    particle_list = np.zeros((N,6))
+    i = 0
+    while (i < N):
+        X1, X2, X3 = np.random.random(3)
+        R = 1/np.sqrt(X1**(-2/3) - 1)
+        if (R > RMAX): continue
+        Z = (1 - 2*X2)*R
+        X = np.sqrt(R**2 - Z**2) * np.cos(2*np.pi*X3)
+        Y = np.sqrt(R**2 - Z**2) * np.sin(2*np.pi*X3)
+
+        Ve = np.sqrt(2)*(1.0 + R**2)**(-0.25);
+
+        X4, X5 = 0, 0
+        while 0.1*X5 >= X4**2*(1-X4**2)**3.5:
+            X4, X5 = np.random.random(2)
+
+        V = Ve*X4
+        X6, X7 = np.random.random(2)
+
+        Vz = (1 - 2*X6)*V;
+        Vx = np.sqrt(V**2 - Vz**2) * np.cos(2*np.pi*X7);
+        Vy = np.sqrt(V**2 - Vz**2) * np.sin(2*np.pi*X7);
+
+        X, Y, Z    = np.array([X,  Y,  Z])*3*np.pi/16
+        Vx, Vy, Vz = np.array([Vx, Vy, Vz])/np.sqrt(3*np.pi/16)
+
+        particle_list[i,:] = [X, Y, Z, Vx, Vy, Vz]
+        i += 1
+    return particle_list
+
+def write_phi_grape_config(**kargs):
+    if 'file_name' in kargs: file_name = kargs['file_name']
+    else: file_name = 'phi-GRAPE.cfg'
+    f = open(file_name, 'w')
+    f.write('%.4E %.4E %.4E %.4E %.4E %.4E data.con\n' % (kargs['eps'], kargs['t_end'], kargs['dt_disk'], kargs['dt_contr'], kargs['dt_bh'], kargs['eta']))
+    f.close()
+
+def write_particles(particle_list, m=None, file_name='data.con'):
+    N = particle_list.shape[0]
+    if m is None:
+        m = np.empty(N)
+        m[:] = 1/N
+    f = open(file_name, 'w')
+    f.write('000000\n')
+    f.write('%d\n' % N)
+    f.write('0.0000000000E+00\n')
+    for i in range(N):
+        f.write('%06d%14.6e%14.6e%14.6e%14.6e%14.6e%14.6e%14.6e\n' % (i, m[i], particle_list[i,0], particle_list[i,1], particle_list[i,2], particle_list[i,3], particle_list[i,4], particle_list[i,5]))
+    f.close()
+
+def gen_mask(particle_list, frac):
+    N = particle_list.shape[0]
+    if   frac==0:
+        mask = np.ones(N, dtype=int)
+    elif frac==1:
+        mask = np.zeros(N, dtype=int)
+    else:
+        X = particle_list[:,:3]
+        V = particle_list[:,3:]
+        L = np.linalg.norm(np.cross(X, V), axis=1)
+        L_sorted = L.copy()
+        L_sorted.sort()
+        L_cutoff = L_sorted[int(N*frac)]
+        mask = np.array(L > L_cutoff, dtype=int)
+    return mask
+
+def write_mask(mask, file_name='grapite.mask'):
+    f = open(file_name, 'w')
+    for i in range(len(mask)):
+        f.write('%06d %d\n' % (i, mask[i]))
+    f.close()
+
+if __name__=='__main__':
+    parser = argparse.ArgumentParser(description='Process some integers.')
+    parser.add_argument('N',          type=str,                     help='number of particles (follow by k to multiply by 1024)')
+    parser.add_argument('--seed',     type=int,       default=42,   help='random seed')
+    parser.add_argument('--eps',      type=np.double, default=1E-4, help='Plummer softening parameter (can be even 0)')
+    parser.add_argument('--t_end',    type=np.double, default=4,    help='end time of calculation')
+    parser.add_argument('--dt_disk',  type=np.double, default=1,    help='interval of snapshot files output (0xxx.dat)')
+    parser.add_argument('--dt_contr', type=np.double, default=.125, help='interval for the energy control output (contr.dat)')
+    parser.add_argument('--dt_bh',    type=np.double, default=.125, help='interval for BH output (bh.dat & bh_nb.dat)')
+    parser.add_argument('--eta',      type=np.double, default=.01,  help='parameter for timestep determination (0.02 or 0.01)')
+    parser.add_argument('--frac',     type=np.double, default=0,    help='fraction of collisional particles (by angular momentum)')
+    args = parser.parse_args()
+
+    try:
+        N = int(args.N)
+    except ValueError:
+        if args.N[-1]=='k': N = int(args.N[:-1])*1024
+        else: raise ValueError('Unable to parse N.')
+
+    write_phi_grape_config(**vars(args))
+
+    particle_list = gen_plum(N, seed=args.seed)
+
+    write_particles(particle_list)
+
+    mask = gen_mask(particle_list, args.frac)
+
+    write_mask(mask)