StandardKernels.h
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上传日期:2022-04-05
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- /*
- FastGrid (formerly AutoGrid)
- Copyright (C) 2009 The Scripps Research Institute. All rights reserved.
- Copyright (C) 2009 Masaryk University. All rights reserved.
- AutoGrid is a Trade Mark of The Scripps Research Institute.
- This program is free software; you can redistribute it and/or
- modify it under the terms of the GNU General Public License
- as published by the Free Software Foundation; either version 2
- of the License, or (at your option) any later version.
- This program is distributed in the hope that it will be useful,
- but WITHOUT ANY WARRANTY; without even the implied warranty of
- MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
- GNU General Public License for more details.
- You should have received a copy of the GNU General Public License
- along with this program; if not, write to the Free Software
- Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
- */
- #pragma once
- #include "Interface.h"
- #define STD_NUM_ATOMS_PER_KERNEL 4000
- void stdSetGridMap(const int3 *numGridPoints, const int3 *numGridPointsDiv2,
- const float *gridSpacing, float **deviceEnergies, cudaStream_t stream);
- void stdSetDistDepDielTexture(const cudaArray *ptr, const cudaChannelFormatDesc *desc);
- void stdSetDistDepDielLookUpTable(float **devicePtr, cudaStream_t stream);
- void stdSetSlice(const int *zIndex, cudaStream_t stream);
- void stdSetAtoms(const int *numAtoms, const float4 *atoms, cudaStream_t stream);
- CudaKernelProc stdGetKernelProc(bool distDepDiel, DielectricKind dddKind, bool calcSlicesSeparately, bool unrollLoop);
- void stdCallKernel(CudaKernelProc kernel, const dim3 &grid, const dim3 &block, cudaStream_t stream);