/dports/science/lammps/lammps-stable_29Sep2021/src/KSPACE/ |
H A D | fft3d_wrap.cpp | 23 FFT3d::FFT3d(LAMMPS *lmp, MPI_Comm comm, int nfast, int nmid, int nslow, in FFT3d() function in FFT3d 39 FFT3d::~FFT3d() in ~FFT3d() 46 void FFT3d::compute(FFT_SCALAR *in, FFT_SCALAR *out, int flag) in compute() 53 void FFT3d::timing1d(FFT_SCALAR *in, int nsize, int flag) in timing1d()
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H A D | fft3d_wrap.h | 22 class FFT3d : protected Pointers { 26 FFT3d(class LAMMPS *, MPI_Comm, int, int, int, int, int, int, int, int, int, int, int, int, int, 28 ~FFT3d();
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H A D | pppm_dipole.cpp | 2484 fft1->compute(work1,work1,FFT3d::FFT3d::FORWARD); in timing_3d() 2485 fft1->compute(work1,work1,FFT3d::FFT3d::FORWARD); in timing_3d() 2486 fft1->compute(work1,work1,FFT3d::FFT3d::FORWARD); in timing_3d() 2487 fft2->compute(work1,work1,FFT3d::FFT3d::BACKWARD); in timing_3d() 2488 fft2->compute(work1,work1,FFT3d::FFT3d::BACKWARD); in timing_3d() 2489 fft2->compute(work1,work1,FFT3d::FFT3d::BACKWARD); in timing_3d() 2490 fft2->compute(work1,work1,FFT3d::FFT3d::BACKWARD); in timing_3d() 2491 fft2->compute(work1,work1,FFT3d::FFT3d::BACKWARD); in timing_3d() 2492 fft2->compute(work1,work1,FFT3d::FFT3d::BACKWARD); in timing_3d() 2493 fft2->compute(work1,work1,FFT3d::FFT3d::BACKWARD); in timing_3d() [all …]
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H A D | pppm_disp.h | 195 class FFT3d *fft1, *fft2; 196 class FFT3d *fft1_6, *fft2_6; 278 virtual void poisson_ik(FFT_SCALAR *, FFT_SCALAR *, FFT_SCALAR *, LAMMPS_NS::FFT3d *, 279 LAMMPS_NS::FFT3d *, int, int, int, int, int, int, int, int, int, int, int, 286 virtual void poisson_ad(FFT_SCALAR *, FFT_SCALAR *, FFT_SCALAR *, LAMMPS_NS::FFT3d *, 287 LAMMPS_NS::FFT3d *, int, int, int, int, int, int, int, int, int, int, int, 292 virtual void poisson_peratom(FFT_SCALAR *, FFT_SCALAR *, LAMMPS_NS::FFT3d *, double **, double **,
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H A D | pppm.cpp | 1995 fft1->compute(work1,work1,FFT3d::FORWARD); in poisson_ik() 2056 fft2->compute(work2,work2,FFT3d::BACKWARD); in poisson_ik() 2077 fft2->compute(work2,work2,FFT3d::BACKWARD); in poisson_ik() 2098 fft2->compute(work2,work2,FFT3d::BACKWARD); in poisson_ik() 2130 fft2->compute(work2,work2,FFT3d::BACKWARD); in poisson_ik_triclinic() 2149 fft2->compute(work2,work2,FFT3d::BACKWARD); in poisson_ik_triclinic() 2168 fft2->compute(work2,work2,FFT3d::BACKWARD); in poisson_ik_triclinic() 2196 fft1->compute(work1,work1,FFT3d::FORWARD); in poisson_ad() 2242 fft2->compute(work2,work2,FFT3d::BACKWARD); in poisson_ad() 2293 fft2->compute(work2,work2,FFT3d::BACKWARD); in poisson_peratom() [all …]
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H A D | pppm_disp.cpp | 4569 LAMMPS_NS::FFT3d* ft2, in poisson_ik() 4597 ft1->compute(wk1,wk1,FFT3d::FORWARD); in poisson_ik() 4647 ft2->compute(wk2,wk2,FFT3d::BACKWARD); in poisson_ik() 4669 ft2->compute(wk2,wk2,FFT3d::BACKWARD); in poisson_ik() 4692 ft2->compute(wk2,wk2,FFT3d::BACKWARD); in poisson_ik() 4713 FFT_SCALAR* dfft, LAMMPS_NS::FFT3d* ft1,LAMMPS_NS::FFT3d* ft2, in poisson_ad() 4737 ft1->compute(wk1,wk1,FFT3d::FORWARD); in poisson_ad() 4781 ft2->compute(wk2,wk2,FFT3d::BACKWARD); in poisson_ad() 4819 ft2->compute(wk2,wk2,FFT3d::BACKWARD); in poisson_peratom() 4838 ft2->compute(wk2,wk2,FFT3d::BACKWARD); in poisson_peratom() [all …]
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H A D | pppm.h | 101 class FFT3d *fft1, *fft2;
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/pw/fpga/ |
H A D | README.md | 11 - where `syn??` is dependent on the size of the FFT3d 12 - Therefore, a 16^3 FFT3d file should be copied to `syn16` folder.
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H A D | PACKAGE | 2 "description": " FPGA FFT3d implementation",
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/dports/science/cp2k-data/cp2k-7.1.0/src/pw/fpga/ |
H A D | README.md | 11 - where `syn??` is dependent on the size of the FFT3d 12 - Therefore, a 16^3 FFT3d file should be copied to `syn16` folder.
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H A D | PACKAGE | 2 "description": " FPGA FFT3d implementation",
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/dports/science/lammps/lammps-stable_29Sep2021/src/PHONON/ |
H A D | fix_phonon.h | 77 class FFT3d *fft; // to do fft via the fft3d wrapper
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H A D | fix_phonon.cpp | 158 fft = new FFT3d(lmp,world,nz,ny,nx,0,nz-1,0,ny-1,nxlo,nxhi,0,nz-1,0,ny-1,nxlo,nxhi,0,0,&mysize,0); in FixPhonon()
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/dports/science/lammps/lammps-stable_29Sep2021/src/GPU/ |
H A D | pppm_gpu.cpp | 403 fft1->compute(work1,work1,FFT3d::FORWARD); in poisson_ik() 457 fft2->compute(work2,work2,FFT3d::BACKWARD); in poisson_ik() 479 fft2->compute(work2,work2,FFT3d::BACKWARD); in poisson_ik() 500 fft2->compute(work2,work2,FFT3d::BACKWARD); in poisson_ik()
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/dports/science/lammps/lammps-stable_29Sep2021/doc/graphviz/ |
H A D | lammps-classes.dot | 42 Ff [label="FFT3d"]
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/dports/science/cp2k-data/cp2k-7.1.0/ |
H A D | INSTALL.md | 188 * Currently supported FFT3d sizes - 16^3, 32^3, 64^3.
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/ |
H A D | INSTALL.md | 189 * Currently supported FFT3d sizes - 16^3, 32^3, 64^3.
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