From 98b2465b9042d913cbfb1f27083ab6b5db0d2427 Mon Sep 17 00:00:00 2001
From: L Laniewski-Wollk <llaniewski@meil.pw.edu.pl>
Date: Mon, 6 May 2024 23:57:11 +1000
Subject: [PATCH] Making torque and omega optionally zero

---
 src/Handlers/acRemoteForceInterface.cpp |  8 +++++++-
 src/Lattice.cu.Rt                       | 27 +++++++++++++------------
 src/Lattice.h.Rt                        |  1 +
 3 files changed, 22 insertions(+), 14 deletions(-)

diff --git a/src/Handlers/acRemoteForceInterface.cpp b/src/Handlers/acRemoteForceInterface.cpp
index 63ca861a2..93e3625cf 100644
--- a/src/Handlers/acRemoteForceInterface.cpp
+++ b/src/Handlers/acRemoteForceInterface.cpp
@@ -55,7 +55,7 @@ int acRemoteForceInterface::ConnectRemoteForceInterface(std::string integrator_)
         bool use_box = true;
         attr = node.attribute("use_box");
         if (attr) use_box = attr.as_bool();
-        
+
         if (use_box) {
           lbRegion reg = solver->lattice->region;
           double px = solver->lattice->px;
@@ -69,6 +69,12 @@ int acRemoteForceInterface::ConnectRemoteForceInterface(std::string integrator_)
             pz + reg.dz - PART_MAR_BOX,
             pz + reg.dz + reg.nz + PART_MAR_BOX);
         }
+
+        attr = node.attribute("omega");
+        if (attr) solver->lattice->RFI_omega = attr.as_bool();
+        attr = node.attribute("torque");
+        if (attr) solver->lattice->RFI_torque = attr.as_bool();
+
         MPI_Barrier(MPMD.local);
         solver->lattice->RFI.Connect(MPMD.work,inter.work);
         
diff --git a/src/Lattice.cu.Rt b/src/Lattice.cu.Rt
index d17408bc3..01e4449c5 100644
--- a/src/Lattice.cu.Rt
+++ b/src/Lattice.cu.Rt
@@ -146,6 +146,8 @@ Lattice::Lattice(lbRegion _region, MPIInfo mpi_, int ns): zSet(ZONESETTINGS, ZON
 	container->particle_data_size = 0;
 	SC.balls = &RFI;
 	RFI.name = "TCLB";
+	RFI_omega = true;
+	RFI_torque = true;
 }
 
 /// Initialization of MPI buffors
@@ -398,14 +400,9 @@ void Lattice::CopyInParticles() {
 		CudaMalloc(&container->particle_data, RFI.mem_size());
 	}
 	container->particle_data_size = RFI.size();
-	for (size_t i=0; i<RFI.size(); i++){
-		RFI.RawData(i, RFI_DATA_FORCE+0) = 0;
-		RFI.RawData(i, RFI_DATA_FORCE+1) = 0;
-		RFI.RawData(i, RFI_DATA_FORCE+2) = 0;
-		RFI.RawData(i, RFI_DATA_MOMENT+0) = 0;
-		RFI.RawData(i, RFI_DATA_MOMENT+1) = 0;
-		RFI.RawData(i, RFI_DATA_MOMENT+2) = 0;
-	}
+	for (int j=0; j<6; j++) for (size_t i=0; i<RFI.size(); i++) RFI.RawData(i, RFI_DATA_FORCE+j) = 0;
+	if (!RFI_omega) for (int j=0; j<3; j++) for (size_t i=0; i<RFI.size(); i++) RFI.RawData(i, RFI_DATA_ANGVEL+j) = 0;
+
 	if (RFI.mem_size() > 0) {
 		CudaMemcpyAsync(container->particle_data, RFI.Particles(), RFI.mem_size(), CudaMemcpyHostToDevice, kernelStream);
 	}
@@ -422,12 +419,16 @@ void Lattice::CopyOutParticles() {
     CudaStreamSynchronize(kernelStream);
 	DEBUG_PROF_PUSH("Testing particles for NaNs");
 		int nans = 0;
-		for (size_t i=0; i<RFI.size(); i++){
-			for (int j=0; j<3; j++){
-				if (! isfinite(RFI.RawData(i,RFI_DATA_FORCE+j))) {
-					nans++;
-					RFI.RawData(i,RFI_DATA_FORCE+j) = 0.0;
+		for (int j=0; j<6; j++) {
+			if (RFI_torque || (j<3)) {
+				for (size_t i=0; i<RFI.size(); i++){
+					if (! isfinite(RFI.RawData(i,RFI_DATA_FORCE+j))) {
+						nans++;
+						RFI.RawData(i,RFI_DATA_FORCE+j) = 0.0;
+					}
 				}
+			} else {
+				for (size_t i=0; i<RFI.size(); i++) RFI.RawData(i,RFI_DATA_FORCE+j) = 0.0;
 			}
 		}
 		if (nans > 0) notice("%d NANs in particle forces (overwritten with 0.0)\n", nans);
diff --git a/src/Lattice.h.Rt b/src/Lattice.h.Rt
index 6cdde4882..220b997a5 100644
--- a/src/Lattice.h.Rt
+++ b/src/Lattice.h.Rt
@@ -74,6 +74,7 @@ public:
   real_t px, py, pz; 
   MPIInfo mpi; ///< MPI information
   rfi_t RFI;
+  bool RFI_omega, RFI_torque;
   solidcontainer_t SC;
   size_t particle_data_size_max;
   char snapFileName[STRING_LEN];