move static constants to its own header that is only pulled in by files that use them.
This commit is contained in:
Axel Kohlmeyer
@ -38,6 +38,8 @@
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#include <sstream>
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#include <vector>
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#include "latboltz_const.h"
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using namespace LAMMPS_NS;
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using namespace FixConst;
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@ -21,11 +21,6 @@ FixStyle(lb/fluid,FixLbFluid)
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#define LMP_FIX_LB_FLUID_H
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#include "fix.h"
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#include "math_const.h"
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using LAMMPS_NS::MathConst::MY_SQRT2;
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using LAMMPS_NS::MathConst::MY_SQRT1_2;
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#if defined(MPI_STUBS)
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#error "The LATBOLTZ package cannot be compiled in serial with MPI STUBS"
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@ -33,166 +28,6 @@ using LAMMPS_NS::MathConst::MY_SQRT1_2;
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namespace LAMMPS_NS {
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static const double kappa_lb = 0.0;
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// 15-velocity lattice propogation vectors
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static const int e15[15][3] = {{0, 0, 0}, {1, 0, 0}, {0, 1, 0}, {-1, 0, 0}, {0, -1, 0},
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{0, 0, 1}, {0, 0, -1}, {1, 1, 1}, {-1, 1, 1}, {-1, -1, 1},
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{1, -1, 1}, {1, 1, -1}, {-1, 1, -1}, {-1, -1, -1}, {1, -1, -1}};
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// 15-velocity weights
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static const double w_lb15[15] = {2. / 9., 1. / 9., 1. / 9., 1. / 9., 1. / 9.,
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1. / 9., 1. / 9., 1. / 72., 1. / 72., 1. / 72.,
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1. / 72., 1. / 72., 1. / 72., 1. / 72., 1. / 72.};
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// 15-velocity normalizations
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static const double Ng_lb15[15] = {1., 3., 3., 3., 9. / 2., 9. / 2., 9. / 2., 9.,
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9., 9., 27. / 2., 27. / 2., 27. / 2., 9., 1.};
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// 15-velcity transformation matrix for f_i to moments
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// clang-format off
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static const double mg_lb15[15][15] = {
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{ 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1.},
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{ 0., 1., 0., -1., 0., 0., 0., 1., -1., -1., 1., 1., -1., -1., 1.},
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{ 0., 0., 1., 0., -1., 0., 0., 1., 1., -1., -1., 1., 1., -1., -1.},
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{ 0., 0., 0., 0., 0., 1., -1., 1., 1., 1., 1., -1., -1., -1., -1.},
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{ -1./3., 2./3., -1./3., 2./3., -1./3., -1./3., -1./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3.},
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{ -1./3., -1./3., 2./3., -1./3., 2./3., -1./3., -1./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3.},
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{ -1./3., -1./3., -1./3., -1./3., -1./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3.},
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{ 0., 0., 0., 0., 0., 0., 0., 1., -1., 1., -1., 1., -1., 1., -1.},
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{ 0., 0., 0., 0., 0., 0., 0., 1., 1., -1., -1., -1., -1., 1., 1.},
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{ 0., 0., 0., 0., 0., 0., 0., 1., -1., -1., 1., -1., 1., 1., -1.},
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{ 0., 0., -1./3., 0., 1./3., 0., 0., 2./3., 2./3., -2./3., -2./3., 2./3., 2./3., -2./3., -2./3.},
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{ 0., 0., 0., 0., 0., -1./3., 1./3., 2./3., 2./3., 2./3., 2./3., -2./3., -2./3., -2./3., -2./3.},
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{ 0., -1./3., 0., 1./3., 0., 0., 0., 2./3., -2./3., -2./3., 2./3., 2./3., -2./3., -2./3., 2./3.},
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{ 0., 0., 0., 0., 0., 0., 0., 1., -1., 1., -1., -1., 1., -1., 1.},
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{MY_SQRT2,-MY_SQRT1_2,-MY_SQRT1_2,-MY_SQRT1_2,-MY_SQRT1_2,-MY_SQRT1_2,-MY_SQRT1_2,MY_SQRT2,MY_SQRT2,MY_SQRT2,MY_SQRT2,MY_SQRT2,MY_SQRT2,MY_SQRT2,MY_SQRT2}
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};
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// clang-format on
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// 15-velocity opposite lattice directions for bounce-back, i.e. od[i] = j such that e15[j]=-e15[i]
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static const int od[15] = {0, 3, 4, 1, 2, 6, 5, 13, 14, 11, 12, 9, 10, 7, 8};
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// 15-velocity bounce-back list
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// bbl[i][0] = number of bounce-back directions for orientation i
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// bbl[i][j]...bbl[i][bbl[i][0]] directions that would be coming from inside the wall so need to come from bounce-back
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// bbl[i][[bbl[i][0]+1]...bbl[i][16] directions where standard propogation can proceed (pointing into or along wall)
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// inside edge has 1/4 inside domain, 3/4 outside domain
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// outside edge has 3/4 outside domain, 1/4 inside domain
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// Note: 1. This list is not exhaustive (eg. there should be 12 inside and 12 outside edges possible, it just covers cases
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// accessible in the pit routines. Could be generalized to include other geometries
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// 2. Need better labelling for corners (particularly in-out) that distinguishes different cases (e.g. 10 and 29 are NOT same, also 11,31)
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// ori wall normals (point into domain)
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// 0 not relevent, ori==0 only for lattice type 0 (standard bulk fluid) and 2 (outside domain)
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// 1 wall +x
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// 2 wall +y
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// 3 wall +z
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// 4 outside edge +x,+z
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// 5 inside edge +x,+z
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// 6 inside edge +y,+z
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// 7 outside edge +y,+z
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// 8 inside edge -x,-y
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// 9 inside edge -x,+y
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// 10 in-out corner +x,+y,+z
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// 11 in-out corner +x,-y,+z
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// 12 inside corner -x,+y,+z
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// 13 inside corner -x,-y,+z
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// 14 wall -x
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// 15 wall -y
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// 16 wall -z
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// 17 outside edge -x,+z
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// 18 inside edge -x,+z
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// 19 inside edge -y,+z
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// 20 outside edge -y,+z
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// 21 inside edge +x,-y
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// 22 inside edge +x,+y
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// 23 in-out corner -x,+y,+z
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// 24 in-out corner -x,-y,+z
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// 25 inside corner +x,+y,+z
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// 26 inside corner +x,-y,+z
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// 27 inside edge +y,-z
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// 28 inside edge -y,-z
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// 29 in-out corner +x,+y,+z
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// 30 in-out corner +x,-y,+z
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// 31 in-out corner -x,+y,+z
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// 32 in-out corner -x,-y,+z
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// clang-format off
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static const int bbl[33][16] = {
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{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
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{ 5, 1, 7, 10, 11, 14, 0, 2, 3, 4, 5, 6, 8, 9, 12, 13},
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{ 5, 2, 7, 8, 11, 12, 0, 1, 3, 4, 5, 6, 9, 10, 13, 14},
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{ 5, 5, 7, 8, 9, 10, 0, 1, 2, 3, 4, 6, 11, 12, 13, 14},
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{ 4, 7, 10, 1, 5, 0, 2, 3, 4, 6, 8, 9, 11, 12, 13, 14},
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{ 8, 1, 5, 7, 10, 8, 9, 11, 14, 0, 2, 3, 4, 6, 12, 13},
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{ 8, 2, 5, 7, 8, 9, 10, 11, 12, 0, 1, 3, 4, 6, 13, 14},
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{ 4, 2, 5, 7, 8, 0, 1, 3, 4, 6, 9, 10, 11, 12, 13, 14},
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{ 8, 3, 4, 9, 13, 8, 10, 12, 14, 0, 1, 2, 5, 6, 7, 11},
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{ 8, 2, 3, 8, 12, 7, 9, 11, 13, 0, 1, 4, 5, 6, 10, 14},
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{ 3, 7, 8, 10, 0, 1, 2, 3, 4, 5, 6, 9, 11, 12, 13, 14},
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{ 3, 7, 9, 10, 0, 1, 2, 3, 4, 5, 6, 8, 11, 12, 13, 14},
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{10, 2, 3, 5, 8, 7, 9, 10, 11, 12, 13, 0, 1, 4, 6, 14},
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{10, 3, 4, 5, 9, 7, 8, 10, 12, 13, 14, 0, 1, 2, 6, 11},
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{ 5, 3, 8, 9, 12, 13, 0, 1, 2, 4, 5, 6, 7, 10, 11, 14},
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{ 5, 4, 9, 10, 13, 14, 0, 1, 2, 3, 5, 6, 7, 8, 11, 12},
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{ 5, 6, 11, 12, 13, 14, 0, 1, 2, 3, 4, 5, 7, 8, 9, 10},
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{ 4, 8, 9, 3, 5, 0, 1, 2, 4, 6, 7, 10, 11, 12, 13, 14},
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{ 8, 3, 5, 8, 9, 7, 10, 12, 13, 0, 1, 2, 4, 6, 11, 14},
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{ 8, 4, 5, 9, 10, 7, 8, 13, 14, 0, 1, 2, 3, 6, 11, 12},
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{ 4, 4, 5, 9, 10, 0, 1, 2, 3, 6, 7, 8, 11, 12, 13, 14},
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{ 8, 1, 4, 10, 14, 7, 9, 11, 13, 0, 2, 3, 5, 6, 8, 12},
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{ 8, 1, 2, 7, 11, 8, 10, 12, 14, 0, 3, 4, 5, 6, 9, 13},
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{ 3, 7, 8, 9, 0, 1, 2, 3, 4, 5, 6, 10, 11, 12, 13, 14},
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{ 3, 8, 9, 10, 0, 1, 2, 3, 4, 5, 6, 7, 11, 12, 13, 14},
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{10, 1, 2, 5, 7, 8, 9, 10, 11, 12, 14, 0, 3, 4, 6, 13},
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{10, 1, 4, 5, 10, 7, 8, 9, 11, 13, 14, 0, 2, 3, 6, 12},
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{ 8, 2, 6, 11, 12, 7, 8, 13, 14, 0, 1, 3, 4, 5, 9, 10},
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{ 8, 4, 6, 13, 14, 9, 10, 11, 12, 0, 1, 2, 3, 5, 7, 8},
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{ 6, 2, 7, 8, 11, 10, 12, 0, 1, 3, 4, 5, 6, 9, 13, 14},
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{ 6, 4, 9, 10, 14, 7, 13, 0, 1, 2, 3, 5, 6, 8, 11, 12},
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{ 6, 2, 7, 8, 12, 9, 11, 0, 1, 3, 4, 5, 6, 10, 13, 14},
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{ 6, 4, 9, 10, 13, 8, 14, 0, 1, 2, 3, 5, 6, 7, 11, 12}
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};
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//clang-format on
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// 19-velocity lattice propogation vectors
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static const int e19[19][3] = {{0, 0, 0}, {1, 0, 0}, {0, 1, 0}, {-1, 0, 0}, {0, -1, 0},
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{0, 0, 1}, {0, 0, -1}, {1, 1, 0}, {1, -1, 0}, {-1, 1, 0},
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{-1, -1, 0}, {1, 0, 1}, {1, 0, -1}, {-1, 0, 1}, {-1, 0, -1},
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{0, 1, 1}, {0, 1, -1}, {0, -1, 1}, {0, -1, -1}};
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static const double w_lb19[19] = {1. / 3., 1. / 18., 1. / 18., 1. / 18., 1. / 18.,
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1. / 18., 1. / 18., 1. / 36., 1. / 36., 1. / 36.,
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1. / 36., 1. / 36., 1. / 36., 1. / 36., 1. / 36.,
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1. / 36., 1. / 36., 1. / 36., 1. / 36.};
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static const double Ng_lb19[19] = {1., 3., 3., 3., 9. / 2., 9. / 2., 9. / 2.,
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9., 9., 9., 27. / 2., 27. / 2., 27. / 2., 18.,
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18., 18., 162. / 7., 126. / 5., 30.};
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// clang-format off
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static const double mg_lb19[19][19] = {
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{ 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1.},
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{ 0., 1., 0., -1., 0., 0., 0., 1., 1., -1., -1., 1., 1., -1., -1., 0., 0., 0., 0.},
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{ 0., 0., 1., 0., -1., 0., 0., 1., -1., 1., -1., 0., 0., 0., 0., 1., 1., -1., -1.},
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{ 0., 0., 0., 0., 0., 1., -1., 0., 0., 0., 0., 1., -1., 1., -1., 1., -1., 1., -1.},
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{-1./3., 2./3., -1./3., 2./3., -1./3., -1./3., -1./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3.,-1./3.,-1./3.,-1./3.,-1./3.},
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{-1./3., -1./3., 2./3., -1./3., 2./3., -1./3., -1./3., 2./3., 2./3., 2./3., 2./3.,-1./3.,-1./3.,-1./3.,-1./3., 2./3., 2./3., 2./3., 2./3.},
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{-1./3., -1./3., -1./3., -1./3., -1./3., 2./3., 2./3.,-1./3.,-1./3.,-1./3.,-1./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3.},
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{ 0., 0., 0., 0., 0., 0., 0., 1., -1., -1., 1., 0., 0., 0., 0., 0., 0., 0., 0.},
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{ 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 1., -1., -1., 1., 0., 0., 0., 0.},
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{ 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 1., -1., -1., 1.},
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{ 0., -1./3., 0., 1./3., 0., 0., 0., 2./3., 2./3.,-2./3.,-2./3.,-1./3.,-1./3., 1./3., 1./3., 0., 0., 0., 0.},
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{ 0., 0., -1./3., 0., 1./3., 0., 0., 2./3.,-2./3., 2./3.,-2./3., 0., 0., 0., 0.,-1./3.,-1./3., 1./3., 1./3.},
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{ 0., 0., 0., 0., 0., -1./3., 1./3., 0., 0., 0., 0., 2./3.,-2./3., 2./3.,-2./3.,-1./3., 1./3.,-1./3., 1./3.},
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{ 0., -0.5, 0., 0.5, 0., 0., 0., 0., 0., 0., 0., 0.5, 0.5, -0.5, -0.5, 0., 0., 0., 0.},
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{ 0., 0., 0., 0., 0., -0.5, 0.5, 0., 0., 0., 0., 0., 0., 0., 0., 0.5, -0.5, 0.5, -0.5},
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{ 0., 0., -0.5, 0., 0.5, 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0.5, 0.5, -0.5, -0.5},
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{1./18.,-5./18.,-5./18.,-5./18.,-5./18., 2./9., 2./9.,7./18.,7./18.,7./18.,7./18.,-1./9.,-1./9.,-1./9.,-1./9.,-1./9.,-1./9.,-1./9.,-1./9.},
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{1./14.,-5./14., 1./7.,-5./14., 1./7.,-3./14.,-3./14., 0., 0., 0., 0.,5./14.,5./14.,5./14.,5./14.,-1./7.,-1./7.,-1./7.,-1./7.},
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{1./10., 0.,-3./10., 0.,-3./10.,-3./10.,-3./10., 0., 0., 0., 0., 0., 0., 0., 0.,3./10.,3./10.,3./10.,3./10.}
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};
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// clang-format on
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class Site {
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public:
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int type;
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@ -19,6 +19,7 @@
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------------------------------------------------------------------------- */
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#include "fix_lb_momentum.h"
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#include "atom.h"
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#include "comm.h"
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#include "domain.h"
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@ -27,6 +28,8 @@
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#include "group.h"
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#include "modify.h"
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#include "latboltz_const.h"
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using namespace LAMMPS_NS;
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using namespace FixConst;
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181
src/LATBOLTZ/latboltz_const.h
Normal file
181
src/LATBOLTZ/latboltz_const.h
Normal file
@ -0,0 +1,181 @@
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/* -*- c++ -*- -----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------ */
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#ifndef LMP_LATBOLTZ_CONST_H
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#define LMP_LATBOLTZ_CONST_H
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#include "math_const.h"
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using LAMMPS_NS::MathConst::MY_ISQRT2;
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using LAMMPS_NS::MathConst::MY_SQRT2;
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static constexpr double kappa_lb = 0.0;
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// 15-velocity lattice propogation vectors
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static constexpr int e15[15][3] = {{0, 0, 0}, {1, 0, 0}, {0, 1, 0}, {-1, 0, 0}, {0, -1, 0},
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{0, 0, 1}, {0, 0, -1}, {1, 1, 1}, {-1, 1, 1}, {-1, -1, 1},
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{1, -1, 1}, {1, 1, -1}, {-1, 1, -1}, {-1, -1, -1}, {1, -1, -1}};
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// 15-velocity weights
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static constexpr double w_lb15[15] = {2. / 9., 1. / 9., 1. / 9., 1. / 9., 1. / 9.,
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1. / 9., 1. / 9., 1. / 72., 1. / 72., 1. / 72.,
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1. / 72., 1. / 72., 1. / 72., 1. / 72., 1. / 72.};
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// 15-velocity normalizations
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static constexpr double Ng_lb15[15] = {1., 3., 3., 3., 9. / 2., 9. / 2., 9. / 2., 9.,
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9., 9., 27. / 2., 27. / 2., 27. / 2., 9., 1.};
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// 15-velcity transformation matrix for f_i to moments
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// clang-format off
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static constexpr double mg_lb15[15][15] = {
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{ 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1.},
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{ 0., 1., 0., -1., 0., 0., 0., 1., -1., -1., 1., 1., -1., -1., 1.},
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{ 0., 0., 1., 0., -1., 0., 0., 1., 1., -1., -1., 1., 1., -1., -1.},
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{ 0., 0., 0., 0., 0., 1., -1., 1., 1., 1., 1., -1., -1., -1., -1.},
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{ -1./3., 2./3., -1./3., 2./3., -1./3., -1./3., -1./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3.},
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{ -1./3., -1./3., 2./3., -1./3., 2./3., -1./3., -1./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3.},
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{ -1./3., -1./3., -1./3., -1./3., -1./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3.},
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{ 0., 0., 0., 0., 0., 0., 0., 1., -1., 1., -1., 1., -1., 1., -1.},
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{ 0., 0., 0., 0., 0., 0., 0., 1., 1., -1., -1., -1., -1., 1., 1.},
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{ 0., 0., 0., 0., 0., 0., 0., 1., -1., -1., 1., -1., 1., 1., -1.},
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{ 0., 0., -1./3., 0., 1./3., 0., 0., 2./3., 2./3., -2./3., -2./3., 2./3., 2./3., -2./3., -2./3.},
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{ 0., 0., 0., 0., 0., -1./3., 1./3., 2./3., 2./3., 2./3., 2./3., -2./3., -2./3., -2./3., -2./3.},
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{ 0., -1./3., 0., 1./3., 0., 0., 0., 2./3., -2./3., -2./3., 2./3., 2./3., -2./3., -2./3., 2./3.},
|
||||
{ 0., 0., 0., 0., 0., 0., 0., 1., -1., 1., -1., -1., 1., -1., 1.},
|
||||
{MY_SQRT2,-MY_ISQRT2,-MY_ISQRT2,-MY_ISQRT2,-MY_ISQRT2,-MY_ISQRT2,-MY_ISQRT2,MY_SQRT2,MY_SQRT2,MY_SQRT2,MY_SQRT2,MY_SQRT2,MY_SQRT2,MY_SQRT2,MY_SQRT2}
|
||||
};
|
||||
// clang-format on
|
||||
|
||||
// 15-velocity opposite lattice directions for bounce-back, i.e. od[i] = j such that e15[j]=-e15[i]
|
||||
static constexpr int od[15] = {0, 3, 4, 1, 2, 6, 5, 13, 14, 11, 12, 9, 10, 7, 8};
|
||||
|
||||
// 15-velocity bounce-back list
|
||||
// bbl[i][0] = number of bounce-back directions for orientation i
|
||||
// bbl[i][j]...bbl[i][bbl[i][0]] directions that would be coming from inside the wall so need to come from bounce-back
|
||||
// bbl[i][[bbl[i][0]+1]...bbl[i][16] directions where standard propogation can proceed (pointing into or along wall)
|
||||
// inside edge has 1/4 inside domain, 3/4 outside domain
|
||||
// outside edge has 3/4 outside domain, 1/4 inside domain
|
||||
// Note: 1. This list is not exhaustive (eg. there should be 12 inside and 12 outside edges possible, it just covers cases
|
||||
// accessible in the pit routines. Could be generalized to include other geometries
|
||||
// 2. Need better labelling for corners (particularly in-out) that distinguishes different cases (e.g. 10 and 29 are NOT same, also 11,31)
|
||||
// ori wall normals (point into domain)
|
||||
// 0 not relevent, ori==0 only for lattice type 0 (standard bulk fluid) and 2 (outside domain)
|
||||
// 1 wall +x
|
||||
// 2 wall +y
|
||||
// 3 wall +z
|
||||
// 4 outside edge +x,+z
|
||||
// 5 inside edge +x,+z
|
||||
// 6 inside edge +y,+z
|
||||
// 7 outside edge +y,+z
|
||||
// 8 inside edge -x,-y
|
||||
// 9 inside edge -x,+y
|
||||
// 10 in-out corner +x,+y,+z
|
||||
// 11 in-out corner +x,-y,+z
|
||||
// 12 inside corner -x,+y,+z
|
||||
// 13 inside corner -x,-y,+z
|
||||
// 14 wall -x
|
||||
// 15 wall -y
|
||||
// 16 wall -z
|
||||
// 17 outside edge -x,+z
|
||||
// 18 inside edge -x,+z
|
||||
// 19 inside edge -y,+z
|
||||
// 20 outside edge -y,+z
|
||||
// 21 inside edge +x,-y
|
||||
// 22 inside edge +x,+y
|
||||
// 23 in-out corner -x,+y,+z
|
||||
// 24 in-out corner -x,-y,+z
|
||||
// 25 inside corner +x,+y,+z
|
||||
// 26 inside corner +x,-y,+z
|
||||
// 27 inside edge +y,-z
|
||||
// 28 inside edge -y,-z
|
||||
// 29 in-out corner +x,+y,+z
|
||||
// 30 in-out corner +x,-y,+z
|
||||
// 31 in-out corner -x,+y,+z
|
||||
// 32 in-out corner -x,-y,+z
|
||||
// clang-format off
|
||||
static constexpr int bbl[33][16] = {
|
||||
{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
|
||||
{ 5, 1, 7, 10, 11, 14, 0, 2, 3, 4, 5, 6, 8, 9, 12, 13},
|
||||
{ 5, 2, 7, 8, 11, 12, 0, 1, 3, 4, 5, 6, 9, 10, 13, 14},
|
||||
{ 5, 5, 7, 8, 9, 10, 0, 1, 2, 3, 4, 6, 11, 12, 13, 14},
|
||||
{ 4, 7, 10, 1, 5, 0, 2, 3, 4, 6, 8, 9, 11, 12, 13, 14},
|
||||
{ 8, 1, 5, 7, 10, 8, 9, 11, 14, 0, 2, 3, 4, 6, 12, 13},
|
||||
{ 8, 2, 5, 7, 8, 9, 10, 11, 12, 0, 1, 3, 4, 6, 13, 14},
|
||||
{ 4, 2, 5, 7, 8, 0, 1, 3, 4, 6, 9, 10, 11, 12, 13, 14},
|
||||
{ 8, 3, 4, 9, 13, 8, 10, 12, 14, 0, 1, 2, 5, 6, 7, 11},
|
||||
{ 8, 2, 3, 8, 12, 7, 9, 11, 13, 0, 1, 4, 5, 6, 10, 14},
|
||||
{ 3, 7, 8, 10, 0, 1, 2, 3, 4, 5, 6, 9, 11, 12, 13, 14},
|
||||
{ 3, 7, 9, 10, 0, 1, 2, 3, 4, 5, 6, 8, 11, 12, 13, 14},
|
||||
{10, 2, 3, 5, 8, 7, 9, 10, 11, 12, 13, 0, 1, 4, 6, 14},
|
||||
{10, 3, 4, 5, 9, 7, 8, 10, 12, 13, 14, 0, 1, 2, 6, 11},
|
||||
{ 5, 3, 8, 9, 12, 13, 0, 1, 2, 4, 5, 6, 7, 10, 11, 14},
|
||||
{ 5, 4, 9, 10, 13, 14, 0, 1, 2, 3, 5, 6, 7, 8, 11, 12},
|
||||
{ 5, 6, 11, 12, 13, 14, 0, 1, 2, 3, 4, 5, 7, 8, 9, 10},
|
||||
{ 4, 8, 9, 3, 5, 0, 1, 2, 4, 6, 7, 10, 11, 12, 13, 14},
|
||||
{ 8, 3, 5, 8, 9, 7, 10, 12, 13, 0, 1, 2, 4, 6, 11, 14},
|
||||
{ 8, 4, 5, 9, 10, 7, 8, 13, 14, 0, 1, 2, 3, 6, 11, 12},
|
||||
{ 4, 4, 5, 9, 10, 0, 1, 2, 3, 6, 7, 8, 11, 12, 13, 14},
|
||||
{ 8, 1, 4, 10, 14, 7, 9, 11, 13, 0, 2, 3, 5, 6, 8, 12},
|
||||
{ 8, 1, 2, 7, 11, 8, 10, 12, 14, 0, 3, 4, 5, 6, 9, 13},
|
||||
{ 3, 7, 8, 9, 0, 1, 2, 3, 4, 5, 6, 10, 11, 12, 13, 14},
|
||||
{ 3, 8, 9, 10, 0, 1, 2, 3, 4, 5, 6, 7, 11, 12, 13, 14},
|
||||
{10, 1, 2, 5, 7, 8, 9, 10, 11, 12, 14, 0, 3, 4, 6, 13},
|
||||
{10, 1, 4, 5, 10, 7, 8, 9, 11, 13, 14, 0, 2, 3, 6, 12},
|
||||
{ 8, 2, 6, 11, 12, 7, 8, 13, 14, 0, 1, 3, 4, 5, 9, 10},
|
||||
{ 8, 4, 6, 13, 14, 9, 10, 11, 12, 0, 1, 2, 3, 5, 7, 8},
|
||||
{ 6, 2, 7, 8, 11, 10, 12, 0, 1, 3, 4, 5, 6, 9, 13, 14},
|
||||
{ 6, 4, 9, 10, 14, 7, 13, 0, 1, 2, 3, 5, 6, 8, 11, 12},
|
||||
{ 6, 2, 7, 8, 12, 9, 11, 0, 1, 3, 4, 5, 6, 10, 13, 14},
|
||||
{ 6, 4, 9, 10, 13, 8, 14, 0, 1, 2, 3, 5, 6, 7, 11, 12}
|
||||
};
|
||||
//clang-format on
|
||||
|
||||
// 19-velocity lattice propogation vectors
|
||||
static constexpr int e19[19][3] = {{0, 0, 0}, {1, 0, 0}, {0, 1, 0}, {-1, 0, 0}, {0, -1, 0},
|
||||
{0, 0, 1}, {0, 0, -1}, {1, 1, 0}, {1, -1, 0}, {-1, 1, 0},
|
||||
{-1, -1, 0}, {1, 0, 1}, {1, 0, -1}, {-1, 0, 1}, {-1, 0, -1},
|
||||
{0, 1, 1}, {0, 1, -1}, {0, -1, 1}, {0, -1, -1}};
|
||||
|
||||
static constexpr double w_lb19[19] = {1. / 3., 1. / 18., 1. / 18., 1. / 18., 1. / 18.,
|
||||
1. / 18., 1. / 18., 1. / 36., 1. / 36., 1. / 36.,
|
||||
1. / 36., 1. / 36., 1. / 36., 1. / 36., 1. / 36.,
|
||||
1. / 36., 1. / 36., 1. / 36., 1. / 36.};
|
||||
|
||||
static constexpr double Ng_lb19[19] = {1., 3., 3., 3., 9. / 2., 9. / 2., 9. / 2.,
|
||||
9., 9., 9., 27. / 2., 27. / 2., 27. / 2., 18.,
|
||||
18., 18., 162. / 7., 126. / 5., 30.};
|
||||
|
||||
// clang-format off
|
||||
static constexpr double mg_lb19[19][19] = {
|
||||
{ 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1., 1.},
|
||||
{ 0., 1., 0., -1., 0., 0., 0., 1., 1., -1., -1., 1., 1., -1., -1., 0., 0., 0., 0.},
|
||||
{ 0., 0., 1., 0., -1., 0., 0., 1., -1., 1., -1., 0., 0., 0., 0., 1., 1., -1., -1.},
|
||||
{ 0., 0., 0., 0., 0., 1., -1., 0., 0., 0., 0., 1., -1., 1., -1., 1., -1., 1., -1.},
|
||||
{-1./3., 2./3., -1./3., 2./3., -1./3., -1./3., -1./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3.,-1./3.,-1./3.,-1./3.,-1./3.},
|
||||
{-1./3., -1./3., 2./3., -1./3., 2./3., -1./3., -1./3., 2./3., 2./3., 2./3., 2./3.,-1./3.,-1./3.,-1./3.,-1./3., 2./3., 2./3., 2./3., 2./3.},
|
||||
{-1./3., -1./3., -1./3., -1./3., -1./3., 2./3., 2./3.,-1./3.,-1./3.,-1./3.,-1./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3., 2./3.},
|
||||
{ 0., 0., 0., 0., 0., 0., 0., 1., -1., -1., 1., 0., 0., 0., 0., 0., 0., 0., 0.},
|
||||
{ 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 1., -1., -1., 1., 0., 0., 0., 0.},
|
||||
{ 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 1., -1., -1., 1.},
|
||||
{ 0., -1./3., 0., 1./3., 0., 0., 0., 2./3., 2./3.,-2./3.,-2./3.,-1./3.,-1./3., 1./3., 1./3., 0., 0., 0., 0.},
|
||||
{ 0., 0., -1./3., 0., 1./3., 0., 0., 2./3.,-2./3., 2./3.,-2./3., 0., 0., 0., 0.,-1./3.,-1./3., 1./3., 1./3.},
|
||||
{ 0., 0., 0., 0., 0., -1./3., 1./3., 0., 0., 0., 0., 2./3.,-2./3., 2./3.,-2./3.,-1./3., 1./3.,-1./3., 1./3.},
|
||||
{ 0., -0.5, 0., 0.5, 0., 0., 0., 0., 0., 0., 0., 0.5, 0.5, -0.5, -0.5, 0., 0., 0., 0.},
|
||||
{ 0., 0., 0., 0., 0., -0.5, 0.5, 0., 0., 0., 0., 0., 0., 0., 0., 0.5, -0.5, 0.5, -0.5},
|
||||
{ 0., 0., -0.5, 0., 0.5, 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0.5, 0.5, -0.5, -0.5},
|
||||
{1./18.,-5./18.,-5./18.,-5./18.,-5./18., 2./9., 2./9.,7./18.,7./18.,7./18.,7./18.,-1./9.,-1./9.,-1./9.,-1./9.,-1./9.,-1./9.,-1./9.,-1./9.},
|
||||
{1./14.,-5./14., 1./7.,-5./14., 1./7.,-3./14.,-3./14., 0., 0., 0., 0.,5./14.,5./14.,5./14.,5./14.,-1./7.,-1./7.,-1./7.,-1./7.},
|
||||
{1./10., 0.,-3./10., 0.,-3./10.,-3./10.,-3./10., 0., 0., 0., 0., 0., 0., 0., 0.,3./10.,3./10.,3./10.,3./10.}
|
||||
};
|
||||
// clang-format on
|
||||
|
||||
#endif
|
||||
@ -28,8 +28,8 @@ namespace MathConst {
|
||||
static constexpr double MY_PIS = 1.77245385090551602729; // sqrt(pi)
|
||||
static constexpr double MY_ISPI4 = 1.12837916709551257389; // 1/sqrt(pi/4)
|
||||
static constexpr double MY_SQRT2 = 1.41421356237309504880; // sqrt(2)
|
||||
static constexpr double MY_ISQRT2 = 0.707106781186547524401; // 1/sqrt(2)
|
||||
static constexpr double MY_CUBEROOT2 = 1.25992104989487316476; // 2*(1/3)
|
||||
static constexpr double MY_SQRT1_2 = 0.707106781186547524401; // 1/sqrt(2)
|
||||
} // namespace MathConst
|
||||
|
||||
} // namespace LAMMPS_NS
|
||||
|
||||
Reference in New Issue
Block a user