Searched refs:do_coul (Results 1 – 5 of 5) sorted by relevance
| /dports/science/gromacs/gromacs-2021.4/src/gromacs/nbnxm/kernels_reference/ |
| H A D | kernel_ref_outer.h | 122 gmx_bool do_LJ, half_LJ, do_coul; in NBK_FUNC_NAME() local
253 do_coul = ((ciEntry.shift & NBNXN_CI_DO_COUL(0)) != 0); in NBK_FUNC_NAME()
254 half_LJ = (((ciEntry.shift & NBNXN_CI_HALF_LJ(0)) != 0) || !do_LJ) && do_coul; in NBK_FUNC_NAME()
260 gmx_bool do_self = do_coul; in NBK_FUNC_NAME()
340 else if (do_coul) in NBK_FUNC_NAME()
364 else if (do_coul) in NBK_FUNC_NAME()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/nbnxm/kernels_simd_2xmm/ |
| H A D | kernel_outer.h | 57 gmx_bool do_LJ, half_LJ, do_coul; variable
393 do_coul = ((ciEntry.shift & NBNXN_CI_DO_COUL(0)) != 0);
394 half_LJ = (((ciEntry.shift & NBNXN_CI_HALF_LJ(0)) != 0) || !do_LJ) && do_coul;
414 gmx_bool do_self = do_coul;
423 if (do_coul)
495 if (do_coul)
587 else if (do_coul)
634 if (do_coul)
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/nbnxm/kernels_simd_4xm/ |
| H A D | kernel_outer.h | 57 gmx_bool do_LJ, half_LJ, do_coul; variable
414 do_coul = ((ciEntry.shift & NBNXN_CI_DO_COUL(0)) != 0);
415 half_LJ = (((ciEntry.shift & NBNXN_CI_HALF_LJ(0)) != 0) || !do_LJ) && do_coul;
435 gmx_bool do_self = do_coul;
447 if (do_coul)
519 if (do_coul)
631 else if (do_coul)
679 if (do_coul)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_tdp_utils.F | 165 LOGICAL :: do_coul, do_hfx, do_os, do_sc, do_sf, & local
189 do_coul = xas_tdp_control%do_coulomb
264 IF (do_coul) CALL dbcsr_add(sc_matrix_tdp, matrix_b, 1.0_dp, 1.0_dp)
293 IF (do_coul) CALL dbcsr_add(sg_matrix_tdp, matrix_b, 1.0_dp, 2.0_dp)
330 IF (do_coul) CALL dbcsr_add(sc_matrix_tdp, matrix_b, 1.0_dp, 2.0_dp)
358 IF (do_coul) CALL dbcsr_add(sg_matrix_tdp, matrix_b, 1.0_dp, 4.0_dp)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_tdp_utils.F | 222 LOGICAL :: do_coul, do_hfx, do_os, do_sc, do_sf, & local
246 do_coul = xas_tdp_control%do_coulomb
321 IF (do_coul) CALL dbcsr_add(sc_matrix_tdp, matrix_b, 1.0_dp, 1.0_dp)
350 IF (do_coul) CALL dbcsr_add(sg_matrix_tdp, matrix_b, 1.0_dp, 2.0_dp)
387 IF (do_coul) CALL dbcsr_add(sc_matrix_tdp, matrix_b, 1.0_dp, 2.0_dp)
415 IF (do_coul) CALL dbcsr_add(sg_matrix_tdp, matrix_b, 1.0_dp, 4.0_dp)
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