Searched refs:delr2z (Results 1 – 5 of 5) sorted by relevance
/dports/science/lammps/lammps-stable_29Sep2021/lib/gpu/ |
H A D | lal_sw.cu | 366 #define threebody(delr1x,delr1y,delr1z,delr2x,delr2y,delr2z, eflag, energy) \ argument 383 numtyp cs = (delr1x*delr2x + delr1y*delr2y + delr1z*delr2z) * rinv12; \ 542 numtyp delr2z = kx.z-ix.z; in k_sw_three_center() local 543 numtyp rsq2 = delr2x*delr2x + delr2y*delr2y + delr2z*delr2z; in k_sw_three_center() 553 threebody(delr1x,delr1y,delr1z,delr2x,delr2y,delr2z,eflag,energy); in k_sw_three_center() 665 numtyp delr2z = kx.z - jx.z; in k_sw_three_end() local 666 numtyp rsq2 = delr2x*delr2x + delr2y*delr2y + delr2z*delr2z; in k_sw_three_end() 677 threebody_half(delr1x,delr1y,delr1z,delr2x,delr2y,delr2z); in k_sw_three_end() 782 numtyp delr2z = kx.z - jx.z; in k_sw_three_end_vatom() local 783 numtyp rsq2 = delr2x*delr2x + delr2y*delr2y + delr2z*delr2z; in k_sw_three_end_vatom() [all …]
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H A D | lal_vashishta.cu | 407 numtyp cs = (delr1x*delr2x + delr1y*delr2y + delr1z*delr2z) * rinv12; \ 426 fjz = delr1z*(frad1+csfac1)-delr2z*facang12; \ 432 fkz = delr2z*(frad2+csfac2)-delr1z*facang12; \ 439 virial[2] += delr1z*fjz + delr2z*fkz; \ 461 numtyp cs = (delr1x*delr2x + delr1y*delr2y + delr1z*delr2z) * rinv12; \ 566 numtyp delr2z = kx.z-ix.z; in k_vashishta_three_center() local 567 numtyp rsq2 = delr2x*delr2x + delr2y*delr2y + delr2z*delr2z; in k_vashishta_three_center() 694 numtyp delr2z = kx.z - jx.z; in k_vashishta_three_end() local 695 numtyp rsq2 = delr2x*delr2x + delr2y*delr2y + delr2z*delr2z; in k_vashishta_three_end() 826 numtyp delr2z = kx.z - jx.z; in k_vashishta_three_end_vatom() local [all …]
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/gpu/ |
H A D | lal_sw.cu | 236 numtyp cs = (delr1x*delr2x + delr1y*delr2y + delr1z*delr2z) * rinv12; \ 252 fjz = delr1z*(frad1+csfac1)-delr2z*facang12; \ 258 fkz = delr2z*(frad2+csfac2)-delr1z*facang12; \ 265 virial[2] += delr1z*fjz + delr2z*fkz; \ 287 numtyp cs = (delr1x*delr2x + delr1y*delr2y + delr1z*delr2z) * rinv12; \ 377 numtyp delr2z = kx.z-ix.z; in k_sw_three_center() local 378 numtyp rsq2 = delr2x*delr2x + delr2y*delr2y + delr2z*delr2z; in k_sw_three_center() 487 numtyp delr2z = kx.z - jx.z; in k_sw_three_end() local 488 numtyp rsq2 = delr2x*delr2x + delr2y*delr2y + delr2z*delr2z; in k_sw_three_end() 597 numtyp delr2z = kx.z - jx.z; in k_sw_three_end_vatom() local [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/INTEL/ |
H A D | intel_simd.h | 1695 const SIMD_float &delr2y, const SIMD_float &delr2z, in SIMD_ev_tally_nbor3v() argument 1701 sv2 = SIMD_add(sv2, m, sv2, delz * fj2 + delr2z * fk2); in SIMD_ev_tally_nbor3v() 1714 const SIMD_double &delr2y, const SIMD_double &delr2z, in SIMD_ev_tally_nbor3v() argument 1720 sv2 = SIMD_add(sv2, m, sv2, delz * fj2 + delr2z * fk2); in SIMD_ev_tally_nbor3v() 1733 const SIMD_float &delr2y, const SIMD_float &delr2z, in SIMD_ev_tally_nbor3v() argument 1752 dpair = delz * fj2 + delr2z * fk2; in SIMD_ev_tally_nbor3v()
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H A D | pair_sw_intel.cpp | 945 const SIMD_flt_t delr2z = SIMD_load(tdelz + kcoffset); in eval() local 956 delz * delr2z) * rinv12; in eval() 971 const SIMD_flt_t fjz = delz * (frad1 + csfac1)-delr2z*facang12; in eval() 976 SIMD_flt_t fkz = delz * facang12 - delr2z * (frad2 + csfac2); in eval()
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