NAMD
ComputeSMDCUDAKernel.h
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#ifndef SMDKERNEL_H
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#define SMDKERNEL_H
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#include "
Lattice.h
"
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#include "
CudaUtils.h
"
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#include "
CudaRecord.h
"
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#ifdef NODEGROUP_FORCE_REGISTER
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void
computeSMDForce(
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const
Lattice
&lat,
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const
double
inv_group_mass,
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const
double
spring_constant,
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const
double
transverse_spring_constant,
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const
double
velocity,
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const
double3 direction,
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const
int
doEnergy,
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const
int
currentTime,
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const
double3 origCM,
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const
float
* d_mass,
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const
double
* d_pos_x,
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const
double
* d_pos_y,
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const
double
* d_pos_z,
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const
char3* d_transform,
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double
* d_f_normal_x,
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double
* d_f_normal_y,
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double
* d_f_normal_z,
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const
int
numSMDAtoms,
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const
int
* d_smdAtomsSOAIndex,
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double3* d_curCM,
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double3* h_curCM,
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cudaTensor
* d_extVirial,
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double
* h_extEnergy,
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double3* h_extForce,
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cudaTensor
* h_extVirial,
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unsigned
int
* d_tbcatomic,
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cudaStream_t stream);
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#endif // NODEGROUP_FORCE_REGISTER
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#endif // SMDKERNEL_H
CudaUtils.h
cudaTensor
Definition:
CudaUtils.h:75
Lattice.h
Lattice
Definition:
Lattice.h:17
CudaRecord.h
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