conflict resolved

Author: cpignedoli

examples/single_calculations/example_dft_md_reftraj.py

@@ -36,28 +36,10 @@ def example_dft_md_reftraj(cp2k_code):
     )
 
     # Trajectory.
-<<<<<<< HEAD
     steps=5
     positions = np.array([[[2,2,2.73+0.05*random.random()],[2,2,2]] for i in range(steps)])
     cells = np.array([[[4,0,0],[0,4,0],[0,0,4.75+0.05*random.random()]]for i in range(steps)])
     symbols=['H','H']
-=======
-    positions = np.array(
-        [
-            [[2, 2, 2.73], [2, 2, 2.0]],
-            [[2, 2, 2.74], [2, 2, 2.0]],
-            [[2, 2, 2.75], [2, 2, 2.0]],
-        ]
-    )
-    cells = np.array(
-        [
-            [[4, 0, 0], [0, 4, 0], [0, 0, 4.75]],
-            [[4.4, 0, 0], [0, 4.2, 0], [0, 0, 4.76]],
-            [[4, 0, 0], [0, 4.1, 0], [0, 0, 4.75]],
-        ]
-    )
-    symbols = ["H", "H"]
->>>>>>> 0579f0ce4b6ee754292a941572730fae741122cd
     trajectory = TrajectoryData()
     trajectory.set_trajectory(symbols, positions, cells=cells)
 
@@ -83,7 +65,6 @@ def example_dft_md_reftraj(cp2k_code):
             "MOTION": {
                 "MD": {
                     "ENSEMBLE": "REFTRAJ",
-<<<<<<< HEAD
                     "STEPS": steps,
                     "REFTRAJ":{
                         'FIRST_SNAPSHOT':1,
@@ -93,17 +74,6 @@ def example_dft_md_reftraj(cp2k_code):
                         'CELL_FILE_NAME':'reftraj.cell',
                         'VARIABLE_VOLUME':'.TRUE.'
                         },
-=======
-                    "STEPS": 3,
-                    "REFTRAJ": {
-                        "FIRST_SNAPSHOT": 1,
-                        "LAST_SNAPSHOT": 3,
-                        "EVAL_FORCES": ".TRUE.",
-                        "TRAJ_FILE_NAME": "trajectory.xyz",
-                        "CELL_FILE_NAME": "reftraj.cell",
-                        "VARIABLE_VOLUME": ".TRUE.",
-                    },
->>>>>>> 0579f0ce4b6ee754292a941572730fae741122cd
                 },
                 "PRINT": {
                     "RESTART": {