  cp | Class for paircalc config data |
 gspace | |
  PCCommManager | Manages communication with a single paircalc array |
| ortho | |
 impl | Hacky way to allow Ortho builders of each instance to access the maptable for instance 0 pc |
| Builder | A class that orchestrates the mapping and creation of one ortho array and accompanying chares like OrthoHelper, CLA_Matrix etc |
| orthoConfig | Configuration settings for the ortho world |
| PCSectionManager | Class that manages the paircalc sections that each Ortho chare communicates with |
| paircalc | |
| impl | Hacky way to allow PC builders of each instance to access the maptable for instance 0 pc |
| MessageDataCollator | Class that buffers incoming data (via messages/RDMA) till it counts a pre-specified number of arrivals, and then spits the collated data out (packaged in the same incoming message type) via a CkCallback |
| Builder | A class that orchestrates the mapping and creation of one paircalc array and accompanying chares like InputDataHandler etc |
| pcConfig | Dumb structure that holds all the configuration inputs required for paircalc instantiation, functioning and interaction |
| InstanceIDs | A tiny structure to hold the relevant IDs/ proxies required to interact with a paircalc instance |
 startup | |
 PCCreationManager | Manages the creation of a complete paircalc bubble that includes two paircalc instances (symmetric and asymmetric), an ortho instance and all accompanying helper entities (map groups, InputDataHandler, OrthoHelper, CLA_Matrix etc.) |
| PCMapConfig | A container for assorted mapping inputs to pass around easily |
| array2d | == Regular rectangular 2D array |
| ArrayElement4D | |
| Atom | |
| AtomComputeMap | Class used for instantiation of G-space group objects |
| AtomMapTable | |
| AtomMsg | |
| AtomNHC | |
| AtomsCache | |
| AtomsCompute | |
| AtomXYZMsg | |
| CBase_AtomsCompute | |
| CBase_CLA_Matrix | |
| CBase_CLA_MM3D_multiplier | |
| CBase_CP_LargeSP_RhoGSpacePlane | |
| CBase_CP_LargeSP_RhoRealSpacePlane | |
| CBase_CP_Rho_GHartExt | |
| CBase_CP_Rho_GSpacePlane | |
| CBase_CP_Rho_RealSpacePlane | |
| CBase_CP_Rho_RHartExt | |
| CBase_CP_State_GSpacePlane | |
| CBase_CP_State_ParticlePlane | |
| CBase_CP_State_RealParticlePlane | |
| CBase_CP_State_RealSpacePlane | |
| CBase_ENL_EKE_Collector | |
| CBase_GSpaceDriver | |
| CBase_InstanceController | |
| CBase_Ortho | |
| CBase_OrthoHelper | |
| CBase_PairCalculator | |
| CBase_PIBeadAtoms | |
| CBase_StructureFactor | |
| CBase_TemperController | |
| Chare | |
| CkArrayMap | |
| CkArrayMapTable1 | Helper class for map hashtables copied from femrefine.C |
| CkArrayMapTable2 | |
| CkArrayMapTable3 | |
| CkArrayMapTable4 | |
| CkMcastBaseMsg | |
| CLA_Matrix | |
| CLA_Matrix_interface | |
| CLA_Matrix_msg | |
| CLA_MM3D_Map | |
| CLA_MM3D_mult_init_msg | |
| CLA_MM3D_multiplier | |
| CMessage_AtomMsg | |
| CMessage_AtomXYZMsg | |
| CMessage_CLA_Matrix_msg | |
| CMessage_CLA_MM3D_mult_init_msg | |
| CMessage_CompAtmForcMsg | |
| CMessage_EnlCookieMsg | |
| CMessage_entireResultMsg | |
| CMessage_entireResultMsg2 | |
| CMessage_GHartDummyMsg | |
| CMessage_GSIFFTMsg | |
| CMessage_GSPPIFFTMsg | |
| CMessage_GSRedPsiMsg | |
| CMessage_GStateOutMsg | |
| CMessage_ICCookieMsg | |
| CMessage_initCookieMsg | |
| CMessage_initGRedMsg | |
| CMessage_initResultMsg | |
| CMessage_multiplyResultMsg | |
| CMessage_mySendMsg | |
| CMessage_NLDummyMsg | |
| CMessage_NLFFTMsg | |
| CMessage_OrthoHelperMsg | |
| CMessage_paircalcInputMsg | |
| CMessage_partialResultMsg | |
| CMessage_pcSetupMsg | |
| CMessage_PPDummyMsg | |
| CMessage_priorSumMsg | |
| CMessage_ProductMsg | |
| CMessage_RDMAHandleMsg | |
| CMessage_RDMASetupConfirmationMsg | |
| CMessage_RDMASetupRequestMsg | |
| CMessage_RhoGHartMsg | |
| CMessage_RhoGSFFTMsg | |
| CMessage_RhoHartRSFFTMsg | |
| CMessage_RhoRHartMsg | |
| CMessage_RhoRSFFTMsg | |
| CMessage_RPPPFFTMsg | |
| CMessage_RSDummyResume | |
| CMessage_RSFFTMsg | |
| CMessage_sendBWsignalMsg | |
| CMessage_SFDummyMsg | |
| CMessage_StructFactorMsg | |
| CMessage_TMsg | |
| CompAtmForcMsg | |
| complex | |
| Config | |
| CounterStruct | |
| CP_LargeSP_RhoGSpacePlane | The Large Sparse RhoG is where we interface with NAMD in QMMM for the large grid |
| CP_LargeSP_RhoRealSpacePlane | The Large Sparse RhoR is where we interpolate dense RhoR onto the large grid for QMMM |
| CP_Rho_GHartExt | |
| CP_Rho_GSpacePlane | |
| CP_Rho_RealSpacePlane | |
| CP_Rho_RHartExt | |
| CP_State_GSpacePlane | 2D chare array [nchareG][nstates] Handles the electronic structure in Fourier space (referred to as GSpace) |
| CP_State_ParticlePlane | |
| CP_State_RealParticlePlane | |
| CP_State_RealSpacePlane | |
| CPcharmParaInfo | |
| CPcharmParaInfoGrp | |
| CProxy_InputDataHandler | Input handler chare array proxies |
| CProxySection_InputDataHandler | |
| DICT_WORD | |
| eesCache | Group Container class : Only allowed chare data classes have data |
| EnergyGroup | EnergyGroup class |
| EnergyStruct | |
| ENL_EKE_Collector | |
| EnlCookieMsg | |
| entireResultMsg | |
| entireResultMsg2 | |
| essl_work | = Holder classes for the plans : Allows many fft libaries to be used |
| FastAtoms | |
| FFTcache | |
| fftplanholder | |
| FindProcessor | |
| GCHAREPKG | Data class : Minimal copies of big redundant data sets |
| GHartDummyMsg | |
| GPPDATA | Data class |
| Group | |
| GSIFFTMsg | |
| GSlabInfo | |
| GSMap | |
| GSMapTable | |
| GSpaceDriver | 2D chare array [nchareG][nstates] Handles flow of control within an instance, always same dimensional cardinality and mapping as CP_Gspace_State_Plane |
| GSPDATA | Data class : Minimal copies of big redundant data sets |
| GSPPIFFTMsg | |
| GSRedPsiMsg | |
| GStateOutMsg | |
| GStateSlab | |
| ICCookieMsg | |
| initCookieMsg | |
| initGRedMsg | |
| initResultMsg | |
| InputDataHandler | A very thin wrapper class |
| InstanceController | |
| intdual | |
| IntMap1 | |
| IntMap2on1 | |
| IntMap2on2 | |
| IntMap3 | |
| IntMap4 | |
| inttriple | |
| main | The class which creates the main chare |
| MapFile | |
| MapTable1 | Abstract base class |
| MapTable2 | Abstract base class |
| MapTable3 | |
| MapTable4 | Abstract base class |
| MessageDataCollator | A template message collator |
| multiplyResultMsg | |
| mySendMsg | |
| NLDummyMsg | |
| NLFFTMsg | |
| Ortho | For definition of CkDataMsg |
| OrthoHelper | |
| OrthoHelperMap | Map group for placing OrthoHelper chares |
| OrthoHelperMapTable | |
| OrthoHelperMsg | |
| OrthoMap | Centroid based ortho map (actual map creation in MapTable.C) |
| OrthoMapTable | |
| orthoMtrigger | |
| paircalcInputMsg | The new message for sending input data to the PairCalculator |
| PairCalculator | |
| ParaGrpParse | |
| partialResultMsg | |
| pcSetupMsg | Paircalc::CreationManager returns relevant chare array handles via this msg |
| PeList | |
| PeListFactory | Hacky solution to passing a PeList to GSpace(0,0) for use in paircalc mapping without actually having to pup the arrays in a PeList |
| PhysScratchCache | PhysScratchCache class |
| PIBeadAtoms | |
| PIMD_CM | |
| PlaneAtom | |
| PlaneCount | |
| PPDummyMsg | |
| priorSumMsg | |
| ProductMsg | |
| RDMAHandleMsg | |
| rdmaHandleType | Based on whether RDMA is enabled, the handle type is either the actual handle or just an empty structure |
| RDMApair_GSP_PC | A (hopefully) tiny token that is unique to every data sender-receiver pair, and is shared by them during the RDMA setup process |
| RDMASetupConfirmationMsg | Reply from data receiver to the data sender indicating completion of setup on the receiver side |
| RDMASetupRequestMsg | A request from a data sender to setup an RDMA link. Initiates the sender-receiver handshake required to setup such a link |
| RealStateSlab | |
| RedundantCommPkg | |
| rfftplanholder | |
| RHOGDATA | Data class : Minimal copies of big redundant data sets |
| RHOGHARTDATA | Data class |
| RhoGHartMap | |
| RhoGHartMapTable | |
| RhoGHartMsg | |
| RhoGSFFTMsg | |
| RhoGSlab | |
| RhoGSMap | Provide procnum mapping for RhoG |
| RhoGSMapTable | |
| RhoHartRSFFTMsg | |
| RhoRealSlab | |
| RHORHARTDATA | Data class |
| RhoRHartMap | |
| RhoRHartMapTable | |
| RhoRHartMsg | |
| RhoRSFFTMsg | |
| RhoRSMap | Provide procnum mapping for RhoR |
| RhoRSMapTable | |
| RPPDATA | Data class |
| RPPMap | |
| RPPMapTable | |
| RPPPFFTMsg | |
| RSDummyResume | |
| RSFFTMsg | |
| RSMap | Class used for instantiation of real-space group objects |
| RSMapTable | |
| RunDescriptor | == Index logic for lines of constant x,y in gspace |
| SCalcMap | Paircalc's map group that provides procNum() to place paircalc chares as determined by the map logic |
| SCalcMapTable | |
| sendBWsignalMsg | |
| sendFWRDMAsignalMsg | |
| SFDummyMsg | |
| size2d | == Size or location in a regular 2D array |
| StructFactCache | |
| StructFactorMsg | |
| StructureFactor | |
| TemperController | |
| TimeKeeper | |
| TMsg | |
| UberCollection | Holds the UberIndex and the offset for proxies |
| UberIndex | |
| VdWGSMapTable | |
| VdWRSMapTable | |
1.8.6