From 3e2ac53ad830f8f195c9c0be8ab260d023c0fbd9 Mon Sep 17 00:00:00 2001 From: Chris Maffeo <cmaffeo2@illinois.edu> Date: Wed, 9 Nov 2016 15:23:07 -0600 Subject: [PATCH] Began reorganizing project --- notes.org | 174 ------------------ Angle.cu => src/Angle.cu | 0 Angle.h => src/Angle.h | 0 BaseGrid.cu => src/BaseGrid.cu | 0 BaseGrid.h => src/BaseGrid.h | 0 .../BrownianParticle.cu | 0 BrownianParticle.h => src/BrownianParticle.h | 0 .../BrownianParticleType.cpp | 0 .../BrownianParticleType.h | 0 .../CellDecomposition.cu | 0 .../CellDecomposition.h | 0 ComputeForce.cu => src/ComputeForce.cu | 0 ComputeForce.cuh => src/ComputeForce.cuh | 0 ComputeForce.h => src/ComputeForce.h | 0 ComputeGridGrid.cu => src/ComputeGridGrid.cu | 0 .../ComputeGridGrid.cuh | 0 ComputeJustForce.h => src/ComputeJustForce.h | 0 Configuration.cpp => src/Configuration.cpp | 0 Configuration.h => src/Configuration.h | 0 CudaUtil.cu => src/CudaUtil.cu | 0 CudaUtil.cuh => src/CudaUtil.cuh | 0 DcdWriter.h => src/DcdWriter.h | 0 Debug.h => src/Debug.h | 0 Dihedral.cu => src/Dihedral.cu | 0 Dihedral.h => src/Dihedral.h | 0 Exclude.cu => src/Exclude.cu | 0 Exclude.h => src/Exclude.h | 0 FlowForce.cpp => src/FlowForce.cpp | 0 FlowForce.h => src/FlowForce.h | 0 GPUController.h => src/GPUController.h | 0 GPUManager.cpp => src/GPUManager.cpp | 0 GPUManager.h => src/GPUManager.h | 0 GrandBrownTown.cu => src/GrandBrownTown.cu | 0 GrandBrownTown.cuh => src/GrandBrownTown.cuh | 0 GrandBrownTown.h => src/GrandBrownTown.h | 0 JamesBond.cu => src/JamesBond.cu | 0 JamesBond.h => src/JamesBond.h | 0 Makefile => src/Makefile | 0 OverlordGrid.h => src/OverlordGrid.h | 0 Random.h => src/Random.h | 0 RandomCPU.h => src/RandomCPU.h | 0 RandomCUDA.cu => src/RandomCUDA.cu | 0 RandomCUDA.h => src/RandomCUDA.h | 0 RandomGsl.h => src/RandomGsl.h | 0 Reader.h => src/Reader.h | 0 Reservoir.cu => src/Reservoir.cu | 0 Reservoir.h => src/Reservoir.h | 0 RigidBody.cu => src/RigidBody.cu | 0 RigidBody.h => src/RigidBody.h | 0 .../RigidBodyController.cu | 0 .../RigidBodyController.h | 0 RigidBodyGrid.cu => src/RigidBodyGrid.cu | 0 RigidBodyGrid.h => src/RigidBodyGrid.h | 0 RigidBodyType.cu => src/RigidBodyType.cu | 0 RigidBodyType.h => src/RigidBodyType.h | 0 Scatter.cpp => src/Scatter.cpp | 0 Scatter.h => src/Scatter.h | 0 TabulatedAngle.cu => src/TabulatedAngle.cu | 0 TabulatedAngle.h => src/TabulatedAngle.h | 0 .../TabulatedDihedral.cu | 0 .../TabulatedDihedral.h | 0 .../TabulatedMethods.cuh | 0 .../TabulatedPotential.cu | 0 .../TabulatedPotential.h | 0 TrajectoryWriter.h => src/TrajectoryWriter.h | 0 common.h => src/common.h | 0 findcudalib.mk => src/findcudalib.mk | 0 gridSampleDef.c => src/gridSampleDef.c | 0 gridSampleFlow.c => src/gridSampleFlow.c | 0 imd.c => src/imd.c | 0 imd.h => src/imd.h | 0 makefile.clang => src/makefile.clang | 0 runBrownTown.cpp => src/runBrownTown.cpp | 0 useful.cu => src/useful.cu | 0 useful.h => src/useful.h | 0 util.cpp => src/util.cpp | 0 util.h => src/util.h | 0 vmdsock.c => src/vmdsock.c | 0 vmdsock.h => src/vmdsock.h | 0 79 files changed, 174 deletions(-) delete mode 100644 notes.org rename Angle.cu => src/Angle.cu (100%) rename Angle.h => src/Angle.h (100%) rename BaseGrid.cu => src/BaseGrid.cu (100%) rename BaseGrid.h => src/BaseGrid.h (100%) rename BrownianParticle.cu => src/BrownianParticle.cu (100%) rename BrownianParticle.h => src/BrownianParticle.h (100%) rename BrownianParticleType.cpp => src/BrownianParticleType.cpp (100%) rename BrownianParticleType.h => src/BrownianParticleType.h (100%) rename CellDecomposition.cu => src/CellDecomposition.cu (100%) rename CellDecomposition.h => src/CellDecomposition.h (100%) rename ComputeForce.cu => src/ComputeForce.cu (100%) rename ComputeForce.cuh => src/ComputeForce.cuh (100%) rename ComputeForce.h => src/ComputeForce.h (100%) rename ComputeGridGrid.cu => src/ComputeGridGrid.cu (100%) rename ComputeGridGrid.cuh => src/ComputeGridGrid.cuh (100%) rename ComputeJustForce.h => src/ComputeJustForce.h (100%) rename Configuration.cpp => src/Configuration.cpp (100%) rename Configuration.h => src/Configuration.h (100%) rename CudaUtil.cu => src/CudaUtil.cu (100%) rename CudaUtil.cuh => src/CudaUtil.cuh (100%) rename DcdWriter.h => src/DcdWriter.h (100%) rename Debug.h => src/Debug.h (100%) rename Dihedral.cu => src/Dihedral.cu (100%) rename Dihedral.h => src/Dihedral.h (100%) rename Exclude.cu => src/Exclude.cu (100%) rename Exclude.h => src/Exclude.h (100%) rename FlowForce.cpp => src/FlowForce.cpp (100%) rename FlowForce.h => src/FlowForce.h (100%) rename GPUController.h => src/GPUController.h (100%) rename GPUManager.cpp => src/GPUManager.cpp (100%) rename GPUManager.h => src/GPUManager.h (100%) rename GrandBrownTown.cu => src/GrandBrownTown.cu (100%) rename GrandBrownTown.cuh => src/GrandBrownTown.cuh (100%) rename GrandBrownTown.h => src/GrandBrownTown.h (100%) rename JamesBond.cu => src/JamesBond.cu (100%) rename JamesBond.h => src/JamesBond.h (100%) rename Makefile => src/Makefile (100%) rename OverlordGrid.h => src/OverlordGrid.h (100%) rename Random.h => src/Random.h (100%) rename RandomCPU.h => src/RandomCPU.h (100%) rename RandomCUDA.cu => src/RandomCUDA.cu (100%) rename RandomCUDA.h => src/RandomCUDA.h (100%) rename RandomGsl.h => src/RandomGsl.h (100%) rename Reader.h => src/Reader.h (100%) rename Reservoir.cu => src/Reservoir.cu (100%) rename Reservoir.h => src/Reservoir.h (100%) rename RigidBody.cu => src/RigidBody.cu (100%) rename RigidBody.h => src/RigidBody.h (100%) rename RigidBodyController.cu => src/RigidBodyController.cu (100%) rename RigidBodyController.h => src/RigidBodyController.h (100%) rename RigidBodyGrid.cu => src/RigidBodyGrid.cu (100%) rename RigidBodyGrid.h => src/RigidBodyGrid.h (100%) rename RigidBodyType.cu => src/RigidBodyType.cu (100%) rename RigidBodyType.h => src/RigidBodyType.h (100%) rename Scatter.cpp => src/Scatter.cpp (100%) rename Scatter.h => src/Scatter.h (100%) rename TabulatedAngle.cu => src/TabulatedAngle.cu (100%) rename TabulatedAngle.h => src/TabulatedAngle.h (100%) rename TabulatedDihedral.cu => src/TabulatedDihedral.cu (100%) rename TabulatedDihedral.h => src/TabulatedDihedral.h (100%) rename TabulatedMethods.cuh => src/TabulatedMethods.cuh (100%) rename TabulatedPotential.cu => src/TabulatedPotential.cu (100%) rename TabulatedPotential.h => src/TabulatedPotential.h (100%) rename TrajectoryWriter.h => src/TrajectoryWriter.h (100%) rename common.h => src/common.h (100%) rename findcudalib.mk => src/findcudalib.mk (100%) rename gridSampleDef.c => src/gridSampleDef.c (100%) rename gridSampleFlow.c => src/gridSampleFlow.c (100%) rename imd.c => src/imd.c (100%) rename imd.h => src/imd.h (100%) rename makefile.clang => src/makefile.clang (100%) rename runBrownTown.cpp => src/runBrownTown.cpp (100%) rename useful.cu => src/useful.cu (100%) rename useful.h => src/useful.h (100%) rename util.cpp => src/util.cpp (100%) rename util.h => src/util.h (100%) rename vmdsock.c => src/vmdsock.c (100%) rename vmdsock.h => src/vmdsock.h (100%) diff --git a/notes.org b/notes.org deleted file mode 100644 index a98f8d4..0000000 --- a/notes.org +++ /dev/null @@ -1,174 +0,0 @@ - -* TODO active -** Fix wrapping routines (trouble with machine precision - -** make units and kT more uniform (references to 295 K are hardcoded into RB code and Temperature code) -*** I would prefer to specify temperature in K, rather than specifying a scaling factor to be applied to all energies to make them kT - -** handle periodic boundaries for RBs -** RB read restart file -** RB throw exception if an RB type uses a grid key multiple times -** RB each RB gets temperature from grid - - -* TODO eventually -** enable flag to disable physics-checking assertions in kernels (also write these assertions) -** split computation into multiple regions -*** simulate regions, also in overlap -**** atoms at edge of overlap can have DoF frozen -*** periodically synchronize positions -*** optimize to minimize communication & error -**** monitor energy jumps associated with this process - - -** organize code a bit better -** increase cells/cutoff - -** improve pairlist algorithm -http://arxiv.org/pdf/1306.1737.pdf -** RB optionally don't eval forces every ts - -** pairlists for rigid bodies -*** maybe for grids, depending on parallel structure of code - -* Organization of code -** RgidBodyController (RBC) holds device pointers, manages force evaluation and integration - - -* other ideas -** interpolate density grid? - -BaseGrid.h: // RBTODO Fix? -BaseGrid.h- BaseGrid(); // cmaffeo2 (2015) moved this out of protected, cause I wanted BaseGrid in a struct -BaseGrid.h- // The most obvious of constructors. -BaseGrid.h- BaseGrid(Matrix3 basis0, Vector3 origin0, int nx0, int ny0, int nz0); -BaseGrid.h- --- -BaseGrid.h- float a0, a1, a2, a3; -BaseGrid.h- -BaseGrid.h: // RBTODO parallelize loops? -BaseGrid.h- -BaseGrid.h- // Mix along x, taking the derivative. -BaseGrid.h- float g2[4][4]; -BaseGrid.h- for (int iy = 0; iy < 4; iy++) { --- -BaseGrid.h- } -BaseGrid.h- -BaseGrid.h: // RBTODO overload with optimized algorithm -BaseGrid.h- // skip transforms (assume identity basis) -BaseGrid.h- HOST DEVICE inline float interpolatePotential(Vector3 pos) const { -BaseGrid.h- // Find the home node. -BaseGrid.h- Vector3 l = basisInv.transform(pos - origin); --- -BaseGrid.h- -BaseGrid.h- // out of grid? return 0 -BaseGrid.h: // RBTODO -BaseGrid.h- -BaseGrid.h- // Get the array jumps. -BaseGrid.h- int jump[3]; -BaseGrid.h- jump[0] = nz*ny; --- -BaseGrid.h- // Find the values at the neighbors. -BaseGrid.h- float g1[4][4][4]; -BaseGrid.h: //RBTODO parallelize? -BaseGrid.h- for (int ix = 0; ix < 4; ix++) { -BaseGrid.h- for (int iy = 0; iy < 4; iy++) { -BaseGrid.h- for (int iz = 0; iz < 4; iz++) { -BaseGrid.h- // Wrap around the periodic boundaries. --- -ComputeGridGrid.cuh- Matrix3 basis_rho, Vector3 origin_rho, -ComputeGridGrid.cuh- Matrix3 basis_u, Vector3 origin_u) { -ComputeGridGrid.cuh: // RBTODO http://devblogs.nvidia.com/parallelforall/cuda-pro-tip-write-flexible-kernels-grid-stride-loops/ -ComputeGridGrid.cuh- const unsigned int r_id = blockIdx.x * blockDim.x + threadIdx.x; -ComputeGridGrid.cuh- -ComputeGridGrid.cuh: // RBTODO parallelize transform -ComputeGridGrid.cuh- if (r_id > rho->size) // skip threads with no data -ComputeGridGrid.cuh- return; -ComputeGridGrid.cuh- -ComputeGridGrid.cuh- // Maybe: Tile grid data into shared memory -ComputeGridGrid.cuh: // RBTODO: think about localizing regions of grid data -ComputeGridGrid.cuh- Vector3 p = rho->getPosition(r_id, basis, origin); -ComputeGridGrid.cuh- float val = rho->val[r_id]; -ComputeGridGrid.cuh- -ComputeGridGrid.cuh: // RBTODO reduce forces and torques -ComputeGridGrid.cuh- // http://www.cuvilib.com/Reduction.pdf -ComputeGridGrid.cuh- -ComputeGridGrid.cuh: // RBTODO combine interp methods and reduce repetition! -ComputeGridGrid.cuh- float energy = u->interpolatePotential(p); -ComputeGridGrid.cuh- Vector3 f = u->interpolateForceD(p); -ComputeGridGrid.cuh- Vector3 t = cross(p,f); // test if sign is correct! -ComputeGridGrid.cuh- -ComputeGridGrid.cuh: // RBTODO 3rd-law forces + torques -ComputeGridGrid.cuh-} --- -Configuration.cpp- cudaMemcpyHostToDevice)); -Configuration.cpp- } -Configuration.cpp: // RBTODO: moved this out of preceding loop; was that correct? -Configuration.cpp- gpuErrchk(cudaMemcpyAsync(part_d, part_addr, sizeof(BrownianParticleType*) * numParts, -Configuration.cpp- cudaMemcpyHostToDevice)); -Configuration.cpp- -Configuration.cpp- --- -Configuration.cpp- sz = sizeof(float) * len; -Configuration.cpp- gpuErrchk(cudaMemcpy( tmpData, g->val, sz, cudaMemcpyHostToDevice)); -Configuration.cpp: // RBTODO: why can't this be deleted? -Configuration.cpp- // delete[] tmpData; -Configuration.cpp- } -Configuration.cpp- } -Configuration.cpp- --- -Configuration.cpp- sz = sizeof(float) * len; -Configuration.cpp- gpuErrchk(cudaMemcpy( tmpData, g->val, sz, cudaMemcpyHostToDevice)); -Configuration.cpp: // RBTODO: why can't this be deleted? -Configuration.cpp- // delete[] tmpData; -Configuration.cpp- } -Configuration.cpp- -Configuration.cpp- } --- -RigidBodyGrid.h- \===============================*/ -RigidBodyGrid.h- -RigidBodyGrid.h: // RBTODO Fix? -RigidBodyGrid.h- RigidBodyGrid(); // cmaffeo2 (2015) moved this out of protected, cause I wanted RigidBodyGrid in a struct -RigidBodyGrid.h- // The most obvious of constructors. -RigidBodyGrid.h- RigidBodyGrid(int nx0, int ny0, int nz0); -RigidBodyGrid.h- --- -RigidBodyGrid.h- float a0, a1, a2, a3; -RigidBodyGrid.h- -RigidBodyGrid.h: // RBTODO further parallelize loops? unlikely? -RigidBodyGrid.h- -RigidBodyGrid.h- // Mix along x, taking the derivative. -RigidBodyGrid.h- float g2[4][4]; -RigidBodyGrid.h- for (int iy = 0; iy < 4; iy++) { --- -RigidBodyGrid.h- -RigidBodyGrid.h- // out of grid? return 0 -RigidBodyGrid.h: // RBTODO -RigidBodyGrid.h- -RigidBodyGrid.h- // Get the array jumps. -RigidBodyGrid.h- int jump[3]; -RigidBodyGrid.h- jump[0] = nz*ny; --- -RigidBodyGrid.h- w[2] = l.z - homeZ; -RigidBodyGrid.h- // Find the values at the neighbors. -RigidBodyGrid.h: float g1[4][4][4]; /* RBTODO: inefficient for my algorithm? */ -RigidBodyGrid.h- for (int ix = 0; ix < 4; ix++) { -RigidBodyGrid.h- int jx = ix-1 + home[0]; -RigidBodyGrid.h- for (int iy = 0; iy < 4; iy++) { -RigidBodyGrid.h- int jy = iy-1 + home[1]; --- -RigidBodyGrid.h- // Assume zero value at edges -RigidBodyGrid.h- int jz = iz-1 + home[2]; -RigidBodyGrid.h: // RBTODO: possible branch divergence in warp? -RigidBodyGrid.h- if (jx < 0 || jy < 0 || jz < 0 || -RigidBodyGrid.h- jx >= nx || jz >= nz || jz >= nz) { -RigidBodyGrid.h- g1[ix][iy][iz] = 0; -RigidBodyGrid.h- } else { --- -RigidBodyGrid.h- // Find the values at the neighbors. -RigidBodyGrid.h- float g1[4][4][4]; -RigidBodyGrid.h: //RBTODO parallelize? -RigidBodyGrid.h- for (int ix = 0; ix < 4; ix++) { -RigidBodyGrid.h- for (int iy = 0; iy < 4; iy++) { -RigidBodyGrid.h- for (int iz = 0; iz < 4; iz++) { -RigidBodyGrid.h- // Wrap around the periodic boundaries. diff --git a/Angle.cu b/src/Angle.cu similarity index 100% rename from Angle.cu rename to src/Angle.cu diff --git a/Angle.h b/src/Angle.h similarity index 100% rename from Angle.h rename to src/Angle.h diff --git a/BaseGrid.cu b/src/BaseGrid.cu similarity index 100% rename from BaseGrid.cu rename to src/BaseGrid.cu diff --git a/BaseGrid.h b/src/BaseGrid.h similarity index 100% rename from BaseGrid.h rename to src/BaseGrid.h diff --git a/BrownianParticle.cu b/src/BrownianParticle.cu similarity index 100% rename from BrownianParticle.cu rename to src/BrownianParticle.cu diff --git a/BrownianParticle.h b/src/BrownianParticle.h similarity index 100% rename from BrownianParticle.h rename to src/BrownianParticle.h diff --git a/BrownianParticleType.cpp b/src/BrownianParticleType.cpp similarity index 100% rename from BrownianParticleType.cpp rename to src/BrownianParticleType.cpp diff --git a/BrownianParticleType.h b/src/BrownianParticleType.h similarity index 100% rename from BrownianParticleType.h rename to src/BrownianParticleType.h diff --git a/CellDecomposition.cu b/src/CellDecomposition.cu similarity index 100% rename from CellDecomposition.cu rename to src/CellDecomposition.cu diff --git a/CellDecomposition.h b/src/CellDecomposition.h similarity index 100% rename from CellDecomposition.h rename to src/CellDecomposition.h diff --git a/ComputeForce.cu b/src/ComputeForce.cu similarity index 100% rename from ComputeForce.cu rename to src/ComputeForce.cu diff --git a/ComputeForce.cuh b/src/ComputeForce.cuh similarity index 100% rename from ComputeForce.cuh rename to src/ComputeForce.cuh diff --git a/ComputeForce.h b/src/ComputeForce.h similarity index 100% rename from ComputeForce.h rename to src/ComputeForce.h diff --git a/ComputeGridGrid.cu b/src/ComputeGridGrid.cu similarity index 100% rename from ComputeGridGrid.cu rename to src/ComputeGridGrid.cu diff --git a/ComputeGridGrid.cuh b/src/ComputeGridGrid.cuh similarity index 100% rename from ComputeGridGrid.cuh rename to src/ComputeGridGrid.cuh diff --git a/ComputeJustForce.h b/src/ComputeJustForce.h similarity index 100% rename from ComputeJustForce.h rename to src/ComputeJustForce.h diff --git a/Configuration.cpp b/src/Configuration.cpp similarity index 100% rename from Configuration.cpp rename to src/Configuration.cpp diff --git a/Configuration.h b/src/Configuration.h similarity index 100% rename from Configuration.h rename to src/Configuration.h diff --git a/CudaUtil.cu b/src/CudaUtil.cu similarity index 100% rename from CudaUtil.cu rename to src/CudaUtil.cu diff --git a/CudaUtil.cuh b/src/CudaUtil.cuh similarity index 100% rename from CudaUtil.cuh rename to src/CudaUtil.cuh diff --git a/DcdWriter.h b/src/DcdWriter.h similarity index 100% rename from DcdWriter.h rename to src/DcdWriter.h diff --git a/Debug.h b/src/Debug.h similarity index 100% rename from Debug.h rename to src/Debug.h diff --git a/Dihedral.cu b/src/Dihedral.cu similarity index 100% rename from Dihedral.cu rename to src/Dihedral.cu diff --git a/Dihedral.h b/src/Dihedral.h similarity index 100% rename from Dihedral.h rename to src/Dihedral.h diff --git a/Exclude.cu b/src/Exclude.cu similarity index 100% rename from Exclude.cu rename to src/Exclude.cu diff --git a/Exclude.h b/src/Exclude.h similarity index 100% rename from Exclude.h rename to src/Exclude.h diff --git a/FlowForce.cpp b/src/FlowForce.cpp similarity index 100% rename from FlowForce.cpp rename to src/FlowForce.cpp diff --git a/FlowForce.h b/src/FlowForce.h similarity index 100% rename from FlowForce.h rename to src/FlowForce.h diff --git a/GPUController.h b/src/GPUController.h similarity index 100% rename from GPUController.h rename to src/GPUController.h diff --git a/GPUManager.cpp b/src/GPUManager.cpp similarity index 100% rename from GPUManager.cpp rename to src/GPUManager.cpp diff --git a/GPUManager.h b/src/GPUManager.h similarity index 100% rename from GPUManager.h rename to src/GPUManager.h diff --git a/GrandBrownTown.cu b/src/GrandBrownTown.cu similarity index 100% rename from GrandBrownTown.cu rename to src/GrandBrownTown.cu diff --git a/GrandBrownTown.cuh b/src/GrandBrownTown.cuh similarity index 100% rename from GrandBrownTown.cuh rename to src/GrandBrownTown.cuh diff --git a/GrandBrownTown.h b/src/GrandBrownTown.h similarity index 100% rename from GrandBrownTown.h rename to src/GrandBrownTown.h diff --git a/JamesBond.cu b/src/JamesBond.cu similarity index 100% rename from JamesBond.cu rename to src/JamesBond.cu diff --git a/JamesBond.h b/src/JamesBond.h similarity index 100% rename from JamesBond.h rename to src/JamesBond.h diff --git a/Makefile b/src/Makefile similarity index 100% rename from Makefile rename to src/Makefile diff --git a/OverlordGrid.h b/src/OverlordGrid.h similarity index 100% rename from OverlordGrid.h rename to src/OverlordGrid.h diff --git a/Random.h b/src/Random.h similarity index 100% rename from Random.h rename to src/Random.h diff --git a/RandomCPU.h b/src/RandomCPU.h similarity index 100% rename from RandomCPU.h rename to src/RandomCPU.h diff --git a/RandomCUDA.cu b/src/RandomCUDA.cu similarity index 100% rename from RandomCUDA.cu rename to src/RandomCUDA.cu diff --git a/RandomCUDA.h b/src/RandomCUDA.h similarity index 100% rename from RandomCUDA.h rename to src/RandomCUDA.h diff --git a/RandomGsl.h b/src/RandomGsl.h similarity index 100% rename from RandomGsl.h rename to src/RandomGsl.h diff --git a/Reader.h b/src/Reader.h similarity index 100% rename from Reader.h rename to src/Reader.h diff --git a/Reservoir.cu b/src/Reservoir.cu similarity index 100% rename from Reservoir.cu rename to src/Reservoir.cu diff --git a/Reservoir.h b/src/Reservoir.h similarity index 100% rename from Reservoir.h rename to src/Reservoir.h diff --git a/RigidBody.cu b/src/RigidBody.cu similarity index 100% rename from RigidBody.cu rename to src/RigidBody.cu diff --git a/RigidBody.h b/src/RigidBody.h similarity index 100% rename from RigidBody.h rename to src/RigidBody.h diff --git a/RigidBodyController.cu b/src/RigidBodyController.cu similarity index 100% rename from RigidBodyController.cu rename to src/RigidBodyController.cu diff --git a/RigidBodyController.h b/src/RigidBodyController.h similarity index 100% rename from RigidBodyController.h rename to src/RigidBodyController.h diff --git a/RigidBodyGrid.cu b/src/RigidBodyGrid.cu similarity index 100% rename from RigidBodyGrid.cu rename to src/RigidBodyGrid.cu diff --git a/RigidBodyGrid.h b/src/RigidBodyGrid.h similarity index 100% rename from RigidBodyGrid.h rename to src/RigidBodyGrid.h diff --git a/RigidBodyType.cu b/src/RigidBodyType.cu similarity index 100% rename from RigidBodyType.cu rename to src/RigidBodyType.cu diff --git a/RigidBodyType.h b/src/RigidBodyType.h similarity index 100% rename from RigidBodyType.h rename to src/RigidBodyType.h diff --git a/Scatter.cpp b/src/Scatter.cpp similarity index 100% rename from Scatter.cpp rename to src/Scatter.cpp diff --git a/Scatter.h b/src/Scatter.h similarity index 100% rename from Scatter.h rename to src/Scatter.h diff --git a/TabulatedAngle.cu b/src/TabulatedAngle.cu similarity index 100% rename from TabulatedAngle.cu rename to src/TabulatedAngle.cu diff --git a/TabulatedAngle.h b/src/TabulatedAngle.h similarity index 100% rename from TabulatedAngle.h rename to src/TabulatedAngle.h diff --git a/TabulatedDihedral.cu b/src/TabulatedDihedral.cu similarity index 100% rename from TabulatedDihedral.cu rename to src/TabulatedDihedral.cu diff --git a/TabulatedDihedral.h b/src/TabulatedDihedral.h similarity index 100% rename from TabulatedDihedral.h rename to src/TabulatedDihedral.h diff --git a/TabulatedMethods.cuh b/src/TabulatedMethods.cuh similarity index 100% rename from TabulatedMethods.cuh rename to src/TabulatedMethods.cuh diff --git a/TabulatedPotential.cu b/src/TabulatedPotential.cu similarity index 100% rename from TabulatedPotential.cu rename to src/TabulatedPotential.cu diff --git a/TabulatedPotential.h b/src/TabulatedPotential.h similarity index 100% rename from TabulatedPotential.h rename to src/TabulatedPotential.h diff --git a/TrajectoryWriter.h b/src/TrajectoryWriter.h similarity index 100% rename from TrajectoryWriter.h rename to src/TrajectoryWriter.h diff --git a/common.h b/src/common.h similarity index 100% rename from common.h rename to src/common.h diff --git a/findcudalib.mk b/src/findcudalib.mk similarity index 100% rename from findcudalib.mk rename to src/findcudalib.mk diff --git a/gridSampleDef.c b/src/gridSampleDef.c similarity index 100% rename from gridSampleDef.c rename to src/gridSampleDef.c diff --git a/gridSampleFlow.c b/src/gridSampleFlow.c similarity index 100% rename from gridSampleFlow.c rename to src/gridSampleFlow.c diff --git a/imd.c b/src/imd.c similarity index 100% rename from imd.c rename to src/imd.c diff --git a/imd.h b/src/imd.h similarity index 100% rename from imd.h rename to src/imd.h diff --git a/makefile.clang b/src/makefile.clang similarity index 100% rename from makefile.clang rename to src/makefile.clang diff --git a/runBrownTown.cpp b/src/runBrownTown.cpp similarity index 100% rename from runBrownTown.cpp rename to src/runBrownTown.cpp diff --git a/useful.cu b/src/useful.cu similarity index 100% rename from useful.cu rename to src/useful.cu diff --git a/useful.h b/src/useful.h similarity index 100% rename from useful.h rename to src/useful.h diff --git a/util.cpp b/src/util.cpp similarity index 100% rename from util.cpp rename to src/util.cpp diff --git a/util.h b/src/util.h similarity index 100% rename from util.h rename to src/util.h diff --git a/vmdsock.c b/src/vmdsock.c similarity index 100% rename from vmdsock.c rename to src/vmdsock.c diff --git a/vmdsock.h b/src/vmdsock.h similarity index 100% rename from vmdsock.h rename to src/vmdsock.h -- GitLab