1 files changed, 0 insertions, 85 deletions
diff --git a/MultiSource/Benchmarks/DOE-ProxyApps-C/CoMD/CoMDTypes.h b/MultiSource/Benchmarks/DOE-ProxyApps-C/CoMD/CoMDTypes.h
deleted file mode 100644
index 3fd30e9f..00000000
--- a/MultiSource/Benchmarks/DOE-ProxyApps-C/CoMD/CoMDTypes.h
+++ /dev/null
@@ -1,85 +0,0 @@
-/// \file
-/// CoMD data structures.
-
-#ifndef __COMDTYPES_H_
-#define __COMDTYPES_H_
-
-#include <stdio.h>
-#include "mytype.h"
-#include "haloExchange.h"
-#include "linkCells.h"
-#include "decomposition.h"
-#include "initAtoms.h"
-
-struct SimFlatSt;
-
-/// The base struct from which all potentials derive.  Think of this as an
-/// abstract base class.
-///
-/// CoMD uses the following units:
-///  - distance is in Angstroms
-///  - energy is in eV
-///  - time is in fs
-///  - force in in eV/Angstrom
-///
-///  The choice of distance, energy, and time units means that the unit
-///  of mass is eV*fs^2/Angstrom^2.  Hence, we must convert masses that
-///  are input in AMU (atomic mass units) into internal mass units.
-typedef struct BasePotentialSt 
-{
-   real_t cutoff;          //!< potential cutoff distance in Angstroms
-   real_t mass;            //!< mass of atoms in intenal units
-   real_t lat;             //!< lattice spacing (angs) of unit cell
-   char latticeType[8];    //!< lattice type, e.g. FCC, BCC, etc.
-   char  name[3];	   //!< element name
-   int	 atomicNo;	   //!< atomic number  
-   int  (*force)(struct SimFlatSt* s); //!< function pointer to force routine
-   void (*print)(FILE* file, struct BasePotentialSt* pot);
-   void (*destroy)(struct BasePotentialSt** pot); //!< destruction of the potential
-} BasePotential;
-
-
-/// species data: chosen to match the data found in the setfl/funcfl files
-typedef struct SpeciesDataSt
-{
-   char  name[3];   //!< element name
-   int	 atomicNo;  //!< atomic number  
-   real_t mass;     //!< mass in internal units
-} SpeciesData;
-
-/// Simple struct to store the initial energy and number of atoms. 
-/// Used to check energy conservation and atom conservation. 
-typedef struct ValidateSt
-{
-   double eTot0; //<! Initial total energy
-   int nAtoms0;  //<! Initial global number of atoms
-} Validate;
-
-/// 
-/// The fundamental simulation data structure with MAXATOMS in every
-/// link cell.
-/// 
-typedef struct SimFlatSt
-{
-   int nSteps;            //<! number of time steps to run
-   int printRate;         //<! number of steps between output
-   double dt;             //<! time step
-   
-   Domain* domain;        //<! domain decomposition data
-
-   LinkCell* boxes;       //<! link-cell data
-
-   Atoms* atoms;          //<! atom data (positions, momenta, ...)
-
-   SpeciesData* species;  //<! species data (per species, not per atom)
-   
-   real_t ePotential;     //!< the total potential energy of the system
-   real_t eKinetic;       //!< the total kinetic energy of the system
-
-   BasePotential *pot;	  //!< the potential
-
-   HaloExchange* atomExchange;
-   
-} SimFlat;
-
-#endif