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Searched refs:iaxis (Results 1 – 25 of 145) sorted by relevance

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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/autotune_grid/
H A Dprep.f9038 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 …]
/dports/science/cp2k-data/cp2k-7.1.0/tools/autotune_grid/
H A Dprep.f9038 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 …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dprep.f909 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 …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/grid/
H A Dprep.f909 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 …]
/dports/science/minc2/minc-release-2.2.00/conversion/gcomserver/voxelq_fix/
H A Dvoxelq_fix_coords.c56 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 …]
/dports/science/openmx/openmx3.8/source/
H A DTRAN_CDen_Main.c91 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 …]
H A DTRAN_Calc_CurrentDensity.c127 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 …]
/dports/math/stanmath/math-4.2.0/lib/boost_1.75.0/boost/histogram/detail/
H A Dreduce_command.hpp23 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()
/dports/science/py-scipy/scipy-1.7.1/scipy/_lib/boost/boost/histogram/detail/
H A Dreduce_command.hpp23 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()
/dports/devel/hyperscan/boost_1_75_0/boost/histogram/detail/
H A Dreduce_command.hpp23 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()
/dports/astro/py-pykep/pykep-2.6/src/third_party/cspice/
H A Dxdda.c34 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 …]
H A Ddrotat.c9 /* 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_()
/dports/astro/pykep/pykep-2.6/src/third_party/cspice/
H A Dxdda.c34 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 …]
H A Ddrotat.c9 /* 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_()
/dports/science/v_sim/v_sim-3.8.0/lib/plug-ins/abinit/
H A Dsymbrav.F90127 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 …]
/dports/devel/boost-docs/boost_1_72_0/boost/histogram/algorithm/
H A Dreduce.hpp28 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 …]
/dports/devel/boost-python-libs/boost_1_72_0/boost/histogram/algorithm/
H A Dreduce.hpp28 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 …]
/dports/devel/boost-libs/boost_1_72_0/boost/histogram/algorithm/
H A Dreduce.hpp28 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 …]
/dports/devel/hyperscan/boost_1_75_0/boost/histogram/algorithm/
H A Dreduce.hpp61 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 …]
/dports/math/stanmath/math-4.2.0/lib/boost_1.75.0/boost/histogram/algorithm/
H A Dreduce.hpp61 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 …]
/dports/science/py-scipy/scipy-1.7.1/scipy/_lib/boost/boost/histogram/algorithm/
H A Dreduce.hpp61 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 …]
/dports/science/madness/madness-ebb3fd7/src/apps/chem/
H A Dnemo.cc867 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 …]
H A Dtest_SCFOperators.cc624 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 …]
/dports/science/cp2k-data/cp2k-7.1.0/tools/autotune_grid/xyz_to_vab/
H A Dxyz_to_vab_nonunroll.template24 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb
36 <$--(for iaxis in range(1,3+1))-->
45 alpha(lxa-l+lxb-k,lxa,lxb,@<iaxis>@)=alpha(lxa-l+lxb-k,lxa,lxb,@<iaxis>@)+ &
48 b=b*(rp(@<iaxis>@)-(ra(@<iaxis>@)+rab(@<iaxis>@)))
51 a=a*(-ra(@<iaxis>@)+rp(@<iaxis>@))
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/autotune_grid/xyz_to_vab/
H A Dxyz_to_vab_nonunroll.template24 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb
36 <$--(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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