Rename lj example to md

Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>

Makefile

 .PHONY: all build clean
 
 # General settings
-TESTCASE=dem
+TESTCASE=md
 PYCMD=python3
 
 # C/C++ compiler settings
@@ -82,4 +82,4 @@ $(GPU_BIN): $(GPU_SRC) $(GPU_OBJ_PATH)/pairs.o $(GPU_OBJ_PATH)/regular_6d_stenci
 
 clean:
 	@echo "Cleaning..."
-	rm -rf build $(CPU_BIN) $(GPU_BIN) lj.o $(CPU_SRC) $(GPU_SRC) dist pairs.egg-info functions functions.pdf $(CPU_OBJ_PATH) $(GPU_OBJ_PATH)
+	rm -rf build $(CPU_BIN) $(GPU_BIN) $(CPU_SRC) $(GPU_SRC) dist pairs.egg-info functions functions.pdf $(CPU_OBJ_PATH) $(GPU_OBJ_PATH)

examples/lj.py → examples/md.py

@@ -2,7 +2,7 @@ import pairs
 import sys
 
 
-def lj(i, j):
+def lennard_jones(i, j):
     sr2 = 1.0 / squared_distance(i, j)
     sr6 = sr2 * sr2 * sr2 * sigma6[i, j]
     apply(force, delta(i, j) * (48.0 * sr6 * (sr6 - 0.5) * sr2 * epsilon[i, j]))
@@ -35,7 +35,7 @@ nz = 32
 rho = 0.8442
 temp = 1.44
 
-psim = pairs.simulation("lj", [pairs.point_mass()], timesteps=200, double_prec=True)
+psim = pairs.simulation("md", [pairs.point_mass()], timesteps=200, double_prec=True)
 
 if target == 'gpu':
     psim.target(pairs.target_gpu())
@@ -57,9 +57,9 @@ psim.compute_thermo(100)
 psim.reneighbor_every(20)
 #psim.compute_half()
 psim.build_neighbor_lists(cutoff_radius + skin)
-#psim.vtk_output(f"output/lj_{target}")
+#psim.vtk_output(f"output/md_{target}")
 
 psim.compute(initial_integrate, symbols={'dt': dt}, pre_step=True, skip_first=True)
-psim.compute(lj, cutoff_radius)
+psim.compute(lennard_jones, cutoff_radius)
 psim.compute(final_integrate, symbols={'dt': dt}, skip_first=True)
 psim.generate()