add fcc lattice IC.

Former-commit-id: 2896379635fe5441548185a032dc896544ebb86d

examples/SedovBlast/makeIC_fcc.py

+###############################################################################
+ # This file is part of SWIFT.
+ # Coypright (c) 2012 Pedro Gonnet (pedro.gonnet@durham.ac.uk),
+ #                    Matthieu Schaller (matthieu.schaller@durham.ac.uk)
+ # 
+ # This program is free software: you can redistribute it and/or modify
+ # it under the terms of the GNU Lesser General Public License as published
+ # by the Free Software Foundation, either version 3 of the License, or
+ # (at your option) any later version.
+ # 
+ # This program is distributed in the hope that it will be useful,
+ # but WITHOUT ANY WARRANTY; without even the implied warranty of
+ # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ # GNU General Public License for more details.
+ # 
+ # You should have received a copy of the GNU Lesser General Public License
+ # along with this program.  If not, see <http://www.gnu.org/licenses/>.
+ # 
+ ##############################################################################
+
+import h5py
+import random
+from numpy import *
+
+# Generates a swift IC file for the Sedov blast test in a periodic cubic box
+
+# Parameters
+periodic= 1      # 1 For periodic box
+boxSize = 10.
+L = 64            # Number of particles boxes along one axis
+rho = 1.          # Density
+P = 1.e-5         # Pressure
+E0= 1.e2          # Energy of the explosion
+pert = 0.05
+gamma = 5./3.     # Gas adiabatic index
+fileName = "sedov.hdf5" 
+
+
+#---------------------------------------------------
+numPart = 4*(L**3) 
+mass = boxSize**3 * rho / numPart
+internalEnergy = P / ((gamma - 1.)*rho)
+off = array( [ [ 0.0 , 0.0 , 0.0 ] , [ 0.0 , 0.5 , 0.5 ] , [ 0.5 , 0.0 , 0.5 ] , [ 0.5 , 0.5 , 0.0 ] ] );
+hbox = boxSize / L
+
+# if L%2 == 0:
+#     print "Number of particles along each dimension must be odd."
+#     exit()
+
+#Generate particles
+coords = zeros((numPart, 3))
+v      = zeros((numPart, 3))
+m      = zeros((numPart, 1))
+h      = zeros((numPart, 1))
+u      = zeros((numPart, 1))
+ids    = zeros((numPart, 1), dtype='L')
+
+for i in range(L):
+    for j in range(L):
+        for k in range(L):
+            x = (i + 0.25) * hbox
+            y = (j + 0.25) * hbox
+            z = (k + 0.25) * hbox
+            for ell in range(4): 
+                index = 4*(i*L*L + j*L + k) + ell
+                coords[index,0] = x + off[ell,0] * hbox
+                coords[index,1] = y + off[ell,1] * hbox
+                coords[index,2] = z + off[ell,2] * hbox
+                v[index,0] = 0.
+                v[index,1] = 0.
+                v[index,2] = 0.
+                m[index] = mass
+                h[index] = 2.251 / 2 * hbox
+                u[index] = internalEnergy
+                ids[index] = index
+                if sqrt((x - boxSize/2.)**2 + (y - boxSize/2.)**2 + (z - boxSize/2.)**2) < 1.2 * hbox:
+                    u[index] = u[index] + E0 / (28. * mass)
+                    print "Particle " , index , " set to detonate."
+                coords[index,0] += random.random() * pert * hbox
+                coords[index,1] += random.random() * pert * hbox
+                coords[index,2] += random.random() * pert * hbox
+
+
+#--------------------------------------------------
+
+#File
+file = h5py.File(fileName, 'w')
+
+# Header
+grp = file.create_group("/Header")
+grp.attrs["BoxSize"] = boxSize
+grp.attrs["NumPart_Total"] =  [numPart, 0, 0, 0, 0, 0]
+grp.attrs["NumPart_Total_HighWord"] = [0, 0, 0, 0, 0, 0]
+grp.attrs["NumPart_ThisFile"] = [numPart, 0, 0, 0, 0, 0]
+grp.attrs["Time"] = 0.0
+grp.attrs["NumFilesPerSnapshot"] = 1
+grp.attrs["MassTable"] = [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]
+grp.attrs["Flag_Entropy_ICs"] = [0, 0, 0, 0, 0, 0]
+
+#Runtime parameters
+grp = file.create_group("/RuntimePars")
+grp.attrs["PeriodicBoundariesOn"] = periodic
+
+#Particle group
+grp = file.create_group("/PartType0")
+ds = grp.create_dataset('Coordinates', (numPart, 3), 'd')
+ds[()] = coords
+ds = grp.create_dataset('Velocities', (numPart, 3), 'f')
+ds[()] = v
+ds = grp.create_dataset('Masses', (numPart,1), 'f')
+ds[()] = m
+ds = grp.create_dataset('SmoothingLength', (numPart,1), 'f')
+ds[()] = h
+ds = grp.create_dataset('InternalEnergy', (numPart,1), 'f')
+ds[()] = u
+ds = grp.create_dataset('ParticleIDs', (numPart, 1), 'L')
+ds[()] = ids
+
+file.close()