diff --git a/data/minimd_setup_4x4x4.input b/data/minimd_setup_4x4x4.input index a31ad8693606608786a77d7678f2ef286705d13f..239cf849a5321af442353a20ef0c16faf5fdef5f 100644 --- a/data/minimd_setup_4x4x4.input +++ b/data/minimd_setup_4x4x4.input @@ -1,4 +1,4 @@ --2.8,9.5184,-2.8,9.5184,-2.8,9.5184 +0,6.7184,0,6.7184,0,6.7184 1,0,0,0,-1.13216,0.0489689,-2.03943 1,1.6796,0,0,0.689294,0.210488,-1.97539 1,3.3592,0,0,-1.6486,0.372007,-1.91135 diff --git a/sim/particle_simulation.py b/sim/particle_simulation.py index ce0ba31f55cf86cd666f7413ae7b16bf054ed3f6..32f3666f471f876e22c3166f0c260c9eee31d3d0 100644 --- a/sim/particle_simulation.py +++ b/sim/particle_simulation.py @@ -175,8 +175,8 @@ class ParticleSimulation: def generate(self): timestep = Timestep(self, self.ntimesteps, [ (EnforcePBC(self.pbc).lower(), 20), - #(SetupPBC(self.pbc).lower(), 20), - #UpdatePBC(self.pbc).lower(), + (SetupPBC(self.pbc).lower(), 20), + UpdatePBC(self.pbc).lower(), (CellListsBuild(self.cell_lists).lower(), 20), PropertiesResetVolatile(self).lower(), self.kernels.lower() @@ -188,8 +188,8 @@ class ParticleSimulation: CellListsStencilBuild(self.cell_lists).lower(), self.setups.lower(), EnforcePBC(self.pbc).lower(), - #SetupPBC(self.pbc).lower(), - #UpdatePBC(self.pbc).lower(), + SetupPBC(self.pbc).lower(), + UpdatePBC(self.pbc).lower(), CellListsBuild(self.cell_lists).lower(), Block(self, VTKWrite(self, self.vtk_file, 0)), timestep.as_block()