/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/autotune_grid/ |
H A D | prep.f90 | 38 b=b*(rp(iaxis)-(ra(iaxis)+rab(iaxis))) 41 a=a*(-ra(iaxis)+rp(iaxis)) 55 iaxis=3 59 t_exp_min_2=EXP(-2*zetp*(+dr(iaxis)- roffset(iaxis))*(-dr(iaxis))) 63 rpg = REAL(ig,dp)*dr(iaxis) - roffset(iaxis) 73 rpg = REAL(1-ig,dp)*dr(iaxis) - roffset(iaxis) 84 iaxis=2 88 t_exp_min_2=EXP(-2*zetp*(+dr(iaxis)- roffset(iaxis))*(-dr(iaxis))) 92 rpg = REAL(ig,dp)*dr(iaxis) - roffset(iaxis) 102 rpg = REAL(1-ig,dp)*dr(iaxis) - roffset(iaxis) [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/tools/autotune_grid/ |
H A D | prep.f90 | 38 b=b*(rp(iaxis)-(ra(iaxis)+rab(iaxis))) 41 a=a*(-ra(iaxis)+rp(iaxis)) 55 iaxis=3 59 t_exp_min_2=EXP(-2*zetp*(+dr(iaxis)- roffset(iaxis))*(-dr(iaxis))) 63 rpg = REAL(ig,dp)*dr(iaxis) - roffset(iaxis) 73 rpg = REAL(1-ig,dp)*dr(iaxis) - roffset(iaxis) 84 iaxis=2 88 t_exp_min_2=EXP(-2*zetp*(+dr(iaxis)- roffset(iaxis))*(-dr(iaxis))) 92 rpg = REAL(ig,dp)*dr(iaxis) - roffset(iaxis) 102 rpg = REAL(1-ig,dp)*dr(iaxis) - roffset(iaxis) [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | prep.f90 | 9 iaxis = 3 12 t_exp_min_1 = EXP(-zetp*(+dr(iaxis) - roffset(iaxis))**2) 13 t_exp_min_2 = EXP(-2*zetp*(+dr(iaxis) - roffset(iaxis))*(-dr(iaxis))) 15 t_exp_plus_2 = EXP(-2*zetp*(-roffset(iaxis))*(+dr(iaxis))) 17 rpg = REAL(ig, dp)*dr(iaxis) - roffset(iaxis) 27 rpg = REAL(1 - ig, dp)*dr(iaxis) - roffset(iaxis) 38 iaxis = 2 42 t_exp_min_2 = EXP(-2*zetp*(+dr(iaxis) - roffset(iaxis))*(-dr(iaxis))) 46 rpg = REAL(ig, dp)*dr(iaxis) - roffset(iaxis) 56 rpg = REAL(1 - ig, dp)*dr(iaxis) - roffset(iaxis) [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/grid/ |
H A D | prep.f90 | 9 iaxis = 3 12 t_exp_min_1 = EXP(-zetp*(+dr(iaxis) - roffset(iaxis))**2) 13 t_exp_min_2 = EXP(-2*zetp*(+dr(iaxis) - roffset(iaxis))*(-dr(iaxis))) 15 t_exp_plus_2 = EXP(-2*zetp*(-roffset(iaxis))*(+dr(iaxis))) 17 rpg = REAL(ig, dp)*dr(iaxis) - roffset(iaxis) 27 rpg = REAL(1 - ig, dp)*dr(iaxis) - roffset(iaxis) 38 iaxis = 2 42 t_exp_min_2 = EXP(-2*zetp*(+dr(iaxis) - roffset(iaxis))*(-dr(iaxis))) 46 rpg = REAL(ig, dp)*dr(iaxis) - roffset(iaxis) 56 rpg = REAL(1 - ig, dp)*dr(iaxis) - roffset(iaxis) [all …]
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/dports/science/minc2/minc-release-2.2.00/conversion/gcomserver/voxelq_fix/ |
H A D | voxelq_fix_coords.c | 56 Axis_Index iaxis; in voxelq_fix_coords() local 76 for (iaxis=0; iaxis < AXIS_NDIMS; iaxis++) { in voxelq_fix_coords() 79 lengths[iaxis] += dircos[iaxis][iworld]; in voxelq_fix_coords() 81 lengths[iaxis] = sqrt(lengths[iaxis]); in voxelq_fix_coords() 88 for (iaxis=0; iaxis < AXIS_NDIMS; iaxis++) { in voxelq_fix_coords() 101 for (iaxis=0; iaxis < AXIS_NDIMS; iaxis++) { in voxelq_fix_coords() 129 for (iaxis=0; iaxis < AXIS_NDIMS; iaxis++) { in voxelq_fix_coords() 132 new_position[iaxis] += dircos[iaxis][iworld] * position[iworld]; in voxelq_fix_coords() 142 position[iworld] = new_position[iaxis] * axis_flips[iaxis]; in voxelq_fix_coords() 151 for (iaxis=0; iaxis < AXIS_NDIMS; iaxis++) { in voxelq_fix_coords() [all …]
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/dports/science/openmx/openmx3.8/source/ |
H A D | TRAN_CDen_Main.c | 91 for (iaxis = 0; iaxis < 4; iaxis++) in TRAN_Current_dOrb() 98 for (iaxis = 0; iaxis < 2; iaxis++) tmp[iaxis] = JSym[iaxis][i][j]; in TRAN_Current_dOrb() 99 for (iaxis = 0; iaxis < 3; iaxis++) in TRAN_Current_dOrb() 139 for (iaxis = 0; iaxis < 3; iaxis++){ in TRAN_Current_dOrb() 172 for (iaxis = 0; iaxis < 3; iaxis++) tmp[iaxis] = JReal[iaxis][GN]; in TRAN_Current_dOrb() 173 for (iaxis = 0; iaxis < 3; iaxis++) in TRAN_Current_dOrb() 179 for (iaxis = 0; iaxis < 3; iaxis++) in TRAN_Current_dOrb() 182 for (iaxis = 0; iaxis < 4; iaxis++) free(dorbs0[iaxis]); in TRAN_Current_dOrb() 652 for (iaxis = 0; iaxis < 3; iaxis++){ in TRAN_Current_Spin() 657 for (iaxis = 0; iaxis < 3; iaxis++){ in TRAN_Current_Spin() [all …]
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H A D | TRAN_Calc_CurrentDensity.c | 127 int i, j, iaxis, minusk; in TRAN_Calc_CurrentDensity() local 154 for (iaxis = 0; iaxis < 2; iaxis++) { in TRAN_Calc_CurrentDensity() 156 matrix1[i].r = 2.0 * kvec[iaxis] * (matrix2[i].r - matrix3[i].r); in TRAN_Calc_CurrentDensity() 157 TRAN_Store_Matrix(NUM_c, fL, fR, Tran_current_energy_step, matrix1, JLocSym[iaxis]); in TRAN_Calc_CurrentDensity() 224 dcomplex *In, double ****Out, int iaxis) in TRAN_Store_Matrix_NC_vec() argument 240 Out[2][iaxis][j][i] += In[(NUM_cs + j) + NUM_cs * 2 * i].r in TRAN_Store_Matrix_NC_vec() 243 Out[3][iaxis][j][i] += In[(NUM_cs + j) + NUM_cs * 2 * i].i in TRAN_Store_Matrix_NC_vec() 267 int i, j, iaxis, NUM_cs; in TRAN_Calc_CurrentDensity_NC() local 289 for (iaxis = 0; iaxis < 2; iaxis++) { in TRAN_Calc_CurrentDensity_NC() 291 matrix1[i].r = 2.0 * kvec[iaxis] * matrix2[i].r; in TRAN_Calc_CurrentDensity_NC() [all …]
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/dports/math/stanmath/math-4.2.0/lib/boost_1.75.0/boost/histogram/detail/ |
H A D | reduce_command.hpp | 23 unsigned iaxis = unset; member 47 unsigned iaxis = 0; in normalize_reduce_commands() local 50 if (o_in.iaxis != reduce_command::unset && o_in.iaxis >= out.size()) in normalize_reduce_commands() 52 auto& o_out = out.begin()[o_in.iaxis == reduce_command::unset ? iaxis : o_in.iaxis]; in normalize_reduce_commands() 62 std::to_string(o_in.iaxis == reduce_command::unset ? iaxis : o_in.iaxis))); in normalize_reduce_commands() 71 ++iaxis; in normalize_reduce_commands() 74 iaxis = 0; in normalize_reduce_commands() 75 for (auto& o : out) o.iaxis = iaxis++; in normalize_reduce_commands()
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/dports/science/py-scipy/scipy-1.7.1/scipy/_lib/boost/boost/histogram/detail/ |
H A D | reduce_command.hpp | 23 unsigned iaxis = unset; member 47 unsigned iaxis = 0; in normalize_reduce_commands() local 50 if (o_in.iaxis != reduce_command::unset && o_in.iaxis >= out.size()) in normalize_reduce_commands() 52 auto& o_out = out.begin()[o_in.iaxis == reduce_command::unset ? iaxis : o_in.iaxis]; in normalize_reduce_commands() 62 std::to_string(o_in.iaxis == reduce_command::unset ? iaxis : o_in.iaxis))); in normalize_reduce_commands() 71 ++iaxis; in normalize_reduce_commands() 74 iaxis = 0; in normalize_reduce_commands() 75 for (auto& o : out) o.iaxis = iaxis++; in normalize_reduce_commands()
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/dports/devel/hyperscan/boost_1_75_0/boost/histogram/detail/ |
H A D | reduce_command.hpp | 23 unsigned iaxis = unset; member 47 unsigned iaxis = 0; in normalize_reduce_commands() local 50 if (o_in.iaxis != reduce_command::unset && o_in.iaxis >= out.size()) in normalize_reduce_commands() 52 auto& o_out = out.begin()[o_in.iaxis == reduce_command::unset ? iaxis : o_in.iaxis]; in normalize_reduce_commands() 62 std::to_string(o_in.iaxis == reduce_command::unset ? iaxis : o_in.iaxis))); in normalize_reduce_commands() 71 ++iaxis; in normalize_reduce_commands() 74 iaxis = 0; in normalize_reduce_commands() 75 for (auto& o : out) o.iaxis = iaxis++; in normalize_reduce_commands()
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/dports/astro/py-pykep/pykep-2.6/src/third_party/cspice/ |
H A D | xdda.c | 34 integer iaxis[3]; in xdda_() local 443 iaxis[0] = 1; in xdda_() 448 iaxis[0] = i__; in xdda_() 460 iaxis[1] = next[(i__1 = iaxis[0] - 1) < 3 && 0 <= i__1 ? i__1 : s_rnge( in xdda_() 462 iaxis[2] = next[(i__1 = iaxis[1] - 1) < 3 && 0 <= i__1 ? i__1 : s_rnge( in xdda_() 471 i__1, "xdda_", (ftnlen)482)] = (integer) vertex[(i__3 = iaxis[ in xdda_() 482 ftnlen)486)], &c__1, &grdext[(i__4 = iaxis[(i__3 = i__ - 1) < in xdda_() 554 iaxis[1] - 1) < 3 && 0 <= i__2 ? i__2 : s_rnge("raydir", in xdda_() 556 if (raydir[(i__1 = iaxis[0] - 1) < 3 && 0 <= i__1 ? i__1 : s_rnge( in xdda_() 657 iaxis[2] - 1) < 3 && 0 <= i__2 ? i__2 : s_rnge("raydir", in xdda_() [all …]
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H A D | drotat.c | 9 /* Subroutine */ int drotat_(doublereal *angle, integer *iaxis, doublereal * in drotat_() argument 205 if (*iaxis > 3 || *iaxis < 1) { in drotat_() 209 errint_("#", iaxis, (ftnlen)1); in drotat_() 223 i1 = indexs[(i__1 = *iaxis - 1) < 5 && 0 <= i__1 ? i__1 : s_rnge("indexs", in drotat_() 225 i2 = indexs[(i__1 = *iaxis) < 5 && 0 <= i__1 ? i__1 : s_rnge("indexs", in drotat_() 227 i3 = indexs[(i__1 = *iaxis + 1) < 5 && 0 <= i__1 ? i__1 : s_rnge("indexs", in drotat_()
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/dports/astro/pykep/pykep-2.6/src/third_party/cspice/ |
H A D | xdda.c | 34 integer iaxis[3]; in xdda_() local 443 iaxis[0] = 1; in xdda_() 448 iaxis[0] = i__; in xdda_() 460 iaxis[1] = next[(i__1 = iaxis[0] - 1) < 3 && 0 <= i__1 ? i__1 : s_rnge( in xdda_() 462 iaxis[2] = next[(i__1 = iaxis[1] - 1) < 3 && 0 <= i__1 ? i__1 : s_rnge( in xdda_() 471 i__1, "xdda_", (ftnlen)482)] = (integer) vertex[(i__3 = iaxis[ in xdda_() 482 ftnlen)486)], &c__1, &grdext[(i__4 = iaxis[(i__3 = i__ - 1) < in xdda_() 554 iaxis[1] - 1) < 3 && 0 <= i__2 ? i__2 : s_rnge("raydir", in xdda_() 556 if (raydir[(i__1 = iaxis[0] - 1) < 3 && 0 <= i__1 ? i__1 : s_rnge( in xdda_() 657 iaxis[2] - 1) < 3 && 0 <= i__2 ? i__2 : s_rnge("raydir", in xdda_() [all …]
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H A D | drotat.c | 9 /* Subroutine */ int drotat_(doublereal *angle, integer *iaxis, doublereal * in drotat_() argument 205 if (*iaxis > 3 || *iaxis < 1) { in drotat_() 209 errint_("#", iaxis, (ftnlen)1); in drotat_() 223 i1 = indexs[(i__1 = *iaxis - 1) < 5 && 0 <= i__1 ? i__1 : s_rnge("indexs", in drotat_() 225 i2 = indexs[(i__1 = *iaxis) < 5 && 0 <= i__1 ? i__1 : s_rnge("indexs", in drotat_() 227 i3 = indexs[(i__1 = *iaxis + 1) < 5 && 0 <= i__1 ? i__1 : s_rnge("indexs", in drotat_()
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/dports/science/v_sim/v_sim-3.8.0/lib/plug-ins/abinit/ |
H A D | symbrav.F90 | 127 iaxis=0 174 if(iaxis==0)then 184 if(iaxis==1)then 195 if(iaxis==0)then 203 else if(iaxis/=0)then 235 iaxis=14 237 iaxis=8 242 iaxis=iaxis-1 243 do jaxis=iaxis,1,-1 260 iaxis=jaxis [all …]
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/dports/devel/boost-docs/boost_1_72_0/boost/histogram/algorithm/ |
H A D | reduce.hpp | 28 unsigned iaxis = 0; member 58 return {iaxis, false, 0, 0, true, lower, upper, merge}; in shrink_and_rebin() 94 return shrink_and_rebin(iaxis, lower, upper, 1); in shrink() 105 return slice_and_rebin(iaxis, begin, end, 1); in slice() 192 if (o_in.iaxis >= hist.rank()) in reduce() 194 reduce_option& o_out = opts[o_in.iaxis]; in reduce() 229 unsigned iaxis = 0; in reduce() local 232 auto& o = opts[iaxis]; in reduce() 252 [iaxis](auto&&, const auto&) { in reduce() 261 axis::get<A>(detail::axis_get(axes, iaxis)) = a; in reduce() [all …]
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/dports/devel/boost-python-libs/boost_1_72_0/boost/histogram/algorithm/ |
H A D | reduce.hpp | 28 unsigned iaxis = 0; member 58 return {iaxis, false, 0, 0, true, lower, upper, merge}; in shrink_and_rebin() 94 return shrink_and_rebin(iaxis, lower, upper, 1); in shrink() 105 return slice_and_rebin(iaxis, begin, end, 1); in slice() 192 if (o_in.iaxis >= hist.rank()) in reduce() 194 reduce_option& o_out = opts[o_in.iaxis]; in reduce() 229 unsigned iaxis = 0; in reduce() local 232 auto& o = opts[iaxis]; in reduce() 252 [iaxis](auto&&, const auto&) { in reduce() 261 axis::get<A>(detail::axis_get(axes, iaxis)) = a; in reduce() [all …]
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/dports/devel/boost-libs/boost_1_72_0/boost/histogram/algorithm/ |
H A D | reduce.hpp | 28 unsigned iaxis = 0; member 58 return {iaxis, false, 0, 0, true, lower, upper, merge}; in shrink_and_rebin() 94 return shrink_and_rebin(iaxis, lower, upper, 1); in shrink() 105 return slice_and_rebin(iaxis, begin, end, 1); in slice() 192 if (o_in.iaxis >= hist.rank()) in reduce() 194 reduce_option& o_out = opts[o_in.iaxis]; in reduce() 229 unsigned iaxis = 0; in reduce() local 232 auto& o = opts[iaxis]; in reduce() 252 [iaxis](auto&&, const auto&) { in reduce() 261 axis::get<A>(detail::axis_get(axes, iaxis)) = a; in reduce() [all …]
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/dports/devel/hyperscan/boost_1_75_0/boost/histogram/algorithm/ |
H A D | reduce.hpp | 61 r.iaxis = iaxis; in shrink() 103 inline reduce_command crop(unsigned iaxis, double lower, double upper) { in crop() argument 104 reduce_command r = shrink(iaxis, lower, upper); in crop() 144 r.iaxis = iaxis; in slice() 179 inline reduce_command rebin(unsigned iaxis, unsigned merge) { in rebin() argument 182 r.iaxis = iaxis; in rebin() 219 reduce_command r = shrink(iaxis, lower, upper); in shrink_and_rebin() 255 reduce_command r = crop(iaxis, lower, upper); in crop_and_rebin() 292 reduce_command r = slice(iaxis, begin, end, mode); in slice_and_rebin() 343 auto& o = opts[iaxis]; in __anon42128f5c0102() [all …]
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/dports/math/stanmath/math-4.2.0/lib/boost_1.75.0/boost/histogram/algorithm/ |
H A D | reduce.hpp | 61 r.iaxis = iaxis; in shrink() 103 inline reduce_command crop(unsigned iaxis, double lower, double upper) { in crop() argument 104 reduce_command r = shrink(iaxis, lower, upper); in crop() 144 r.iaxis = iaxis; in slice() 179 inline reduce_command rebin(unsigned iaxis, unsigned merge) { in rebin() argument 182 r.iaxis = iaxis; in rebin() 219 reduce_command r = shrink(iaxis, lower, upper); in shrink_and_rebin() 255 reduce_command r = crop(iaxis, lower, upper); in crop_and_rebin() 292 reduce_command r = slice(iaxis, begin, end, mode); in slice_and_rebin() 343 auto& o = opts[iaxis]; in __anon044527a50102() [all …]
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/dports/science/py-scipy/scipy-1.7.1/scipy/_lib/boost/boost/histogram/algorithm/ |
H A D | reduce.hpp | 61 r.iaxis = iaxis; in shrink() 103 inline reduce_command crop(unsigned iaxis, double lower, double upper) { in crop() argument 104 reduce_command r = shrink(iaxis, lower, upper); in crop() 144 r.iaxis = iaxis; in slice() 179 inline reduce_command rebin(unsigned iaxis, unsigned merge) { in rebin() argument 182 r.iaxis = iaxis; in rebin() 219 reduce_command r = shrink(iaxis, lower, upper); in shrink_and_rebin() 255 reduce_command r = crop(iaxis, lower, upper); in crop_and_rebin() 292 reduce_command r = slice(iaxis, begin, end, mode); in slice_and_rebin() 343 auto& o = opts[iaxis]; in __anon23c97a220102() [all …]
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/dports/science/madness/madness-ebb3fd7/src/apps/chem/ |
H A D | nemo.cc | 867 for (int iaxis=0; iaxis<3; iaxis++) { in gradient() local 954 for (int iaxis=0; iaxis<3; ++iaxis) { in hessian() local 971 for (int iaxis=0; iaxis<3; ++iaxis) { in hessian() local 1087 for (int iaxis=0; iaxis<3; ++iaxis) { in purify_hessian() local 1135 for (int iaxis=0; iaxis<3; ++iaxis) { in make_incomplete_hessian() local 1145 for (int iaxis=0; iaxis<3; ++iaxis) { in make_incomplete_hessian() local 1183 for (int iaxis=0; iaxis<3; ++iaxis, ++i) { in make_incomplete_hessian_response_part() local 1458 for (int iaxis=0; iaxis<3; ++iaxis, ++i) { in compute_all_cphf() local 1500 for (int iaxis=0; iaxis<3; ++iaxis, ++i) { in compute_all_cphf() local 1564 for (int iaxis=0; iaxis<3; ++iaxis, ++i) { in compute_all_cphf() local [all …]
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H A D | test_SCFOperators.cc | 624 for (int iaxis=0; iaxis<3; ++iaxis) { in dnuclear_anchor_test() local 626 DNuclear DVnuc(world,ncf_none,iatom,iaxis); in dnuclear_anchor_test() 628 MolecularDerivativeFunctor mdf(calc.molecule, iatom, iaxis); in dnuclear_anchor_test() 689 for (int iaxis=0; iaxis<3; ++iaxis) { in dnuclear_anchor_test() local 693 double err2=fabs(u1x-u1xref[3*u1axis + iaxis]); in dnuclear_anchor_test() 702 for (int iaxis=0; iaxis<3; ++iaxis) { in dnuclear_anchor_test() local 705 double err2=fabs(u2x-u2xref[3*iatom+iaxis]); in dnuclear_anchor_test() 706 print("u2x,u2xref, daxis=",iaxis," ",u2x,u2xref[3*iatom+iaxis],err2); in dnuclear_anchor_test() 714 for (int iaxis=0; iaxis<3; ++iaxis) { in dnuclear_anchor_test() local 717 double err2=fabs(u3x-u3xref[3*iatom+iaxis]); in dnuclear_anchor_test() [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/tools/autotune_grid/xyz_to_vab/ |
H A D | xyz_to_vab_nonunroll.template | 24 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb 36 <$--(for iaxis in range(1,3+1))--> 45 alpha(lxa-l+lxb-k,lxa,lxb,@<iaxis>@)=alpha(lxa-l+lxb-k,lxa,lxb,@<iaxis>@)+ & 48 b=b*(rp(@<iaxis>@)-(ra(@<iaxis>@)+rab(@<iaxis>@))) 51 a=a*(-ra(@<iaxis>@)+rp(@<iaxis>@))
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/autotune_grid/xyz_to_vab/ |
H A D | xyz_to_vab_nonunroll.template | 24 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb 36 <$--(for iaxis in range(1,3+1))--> 45 alpha(lxa-l+lxb-k,lxa,lxb,@<iaxis>@)=alpha(lxa-l+lxb-k,lxa,lxb,@<iaxis>@)+ & 48 b=b*(rp(@<iaxis>@)-(ra(@<iaxis>@)+rab(@<iaxis>@))) 51 a=a*(-ra(@<iaxis>@)+rp(@<iaxis>@))
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