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Searched refs:sysdim (Results 1 – 21 of 21) sorted by relevance

/dports/science/lammps/lammps-stable_29Sep2021/tools/phonon/
H A Ddynmat.cpp101 fftdim = sysdim * nucell; in DynMat()
107 if (sysdim < 1||sysdim > 3||nx < 1||ny < 1||nz < 1||nucell < 1){ in DynMat()
172 double inv_mass = M_inv_sqrt[idim/sysdim] * M_inv_sqrt[jdim/sysdim]; in DynMat()
388 int idx = (k*sysdim+a)*fftdim+kp*sysdim+b; in EnforceASR()
393 int idx = (k*sysdim+a)*fftdim+kp*sysdim+b; in EnforceASR()
405 int idx = (k*sysdim+a)*fftdim+kp*sysdim+b; in EnforceASR()
406 int jdx = (kp*sysdim+b)*fftdim+k*sysdim+a; in EnforceASR()
414 for (int a = 0; a < sysdim; ++a) in EnforceASR()
419 int idx = (k*sysdim+a)*fftdim+kp*sysdim+b; in EnforceASR()
424 int idx = (k*sysdim+a)*fftdim+kp*sysdim+b; in EnforceASR()
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H A Dgreen.cpp42 natom = ntm; sysdim = sdim; nit = niter; epson = eps; in Green()
52 ndim = natom * sysdim; in Green()
99 int ipos = iatom*sysdim; in Lanczos()
102 for (int idim = 0; idim < sysdim; ++idim){ in Lanczos()
150 alpha_inf = new double [sysdim]; in Recursion()
151 beta_inf = new double [sysdim]; in Recursion()
152 xmin = new double [sysdim]; in Recursion()
153 xmax = new double [sysdim]; in Recursion()
156 for (int idim = 0; idim < sysdim; ++idim){ in Recursion()
179 for (int idim = 0; idim < sysdim; ++idim){ in Recursion()
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H A Dphonon.cpp28 sysdim = dynmat->sysdim; in Phonon()
234 const double one3 = 1./double(sysdim); in writeLDOS()
246 for (int idim = 0; idim < sysdim; ++idim){ in writeLDOS()
459 q[0],q[1],q[2], sysdim, dynmat->nucell); in vecanyq()
464 int ipos = j * sysdim; in vecanyq()
700 for (int idim = 0; idim < sysdim; ++idim){ in local_therm()
709 for (int idim = 0; idim < sysdim; ++idim){ in local_therm()
721 for (int idim = 0; idim < sysdim; ++idim){ in local_therm()
727 for (int idim = 0; idim < sysdim; ++idim){ in local_therm()
978 int ipos = locals[ilocal]*sysdim; in ldos_egv()
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H A Dphonopy.cpp15 sysdim = dm->sysdim; in Phonopy()
124 double m = sqrt(mass[idim/sysdim] * mass[jdim/sysdim]); in get_my_FC()
208 for (int idim = iu * sysdim; idim < (iu+1)*sysdim; ++idim){ in phonopy()
209 for (int jdim = ju * sysdim; jdim < (ju+1)*sysdim; ++jdim){ in phonopy()
H A Dgreen.h20 int natom, iatom, sysdim, nit, nw, ndim; variable
H A Dkpath.h28 int spgnum, sysdim, fftdim, num_atom, *attyp; variable
H A Dphonopy.h25 int sysdim, fftdim; // local variables variable
H A Dphonon.h20 int nq, ndim, sysdim;
H A Ddynmat.h17 int sysdim, fftdim; variable
H A Dkpath.cpp22 sysdim = dynmat->sysdim; in kPath()
47 for (int idim = 0; idim < sysdim; ++idim) atpos[i][idim] = dynmat->basis[i][idim]; in kPath()
/dports/science/lammps/lammps-stable_29Sep2021/src/PHONON/
H A Dfix_phonon.cpp109 if (sdim < sysdim) sysdim = sdim; in FixPhonon()
351 nfind *= (sysdim+1); in end_of_step()
398 ndim = sysdim; in end_of_step()
687 …if (fft_dim > sysdim) MPI_Reduce(&basis[1][0], &basis_root[sysdim], fft_dim-sysdim, MPI_DOUBLE, MP… in postprocess()
867 int idx = (k*sysdim+a)*fft_dim + kp*sysdim + b; in EnforceASR()
872 int idx = (k*sysdim+a)*fft_dim + kp*sysdim + b; in EnforceASR()
884 int idx = (k*sysdim+a)*fft_dim + kp*sysdim + b; in EnforceASR()
885 int jdx = (kp*sysdim+b)*fft_dim + k*sysdim + a; in EnforceASR()
899 int idx = (k*sysdim+a)*fft_dim + kp*sysdim + b; in EnforceASR()
904 int idx = (k*sysdim+a)*fft_dim + kp*sysdim + b; in EnforceASR()
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H A Dfix_phonon.h70 int sysdim; // system dimension variable
/dports/math/linbox/linbox-1.6.3/tests/
H A Dtest-ntl-sylvester.C143 Vector idata(F, TT.sysdim() ), odata( F, TT.sysdim() ); in main()
/dports/science/lammps/lammps-stable_29Sep2021/doc/src/
H A Dfix_phonon.rst32 * keyword = *sysdim* or *nasr*
36 *sysdim* value = d
46 fix 1 all phonon 20 5000 200000 map.in LJ1D sysdim 1
122 The *sysdim* keyword is optional. If specified with a value smaller
126 can be computed using *sysdim* = 1.
198 The option defaults are sysdim = the same dimension as specified by
/dports/math/linbox/linbox-1.6.3/linbox/blackbox/
H A Dntl-sylvester.inl321 if ( v_out.size() != sysdim() )
323 << v_out.size() << ". System rowdim is" << sysdim() << std::endl;
377 if ( v_out.size() != sysdim() )
379 << v_out.size() << ". System rowdim is" << sysdim() << std::endl;
395 GetCoeff(v_out[i], txOut, (long)(sysdim()-1-i)); // Extract the coeffs
409 GetCoeff(tval, txOut, (long)(sysdim()-1-i));
H A Dntl-sylvester.h65 inline size_t sysdim() const { return sysDim; } in sysdim() function
H A Dtoeplitz.h88 inline size_t sysdim() const { return sysDim; } // Max of rows & columns; in sysdim() function
/dports/science/lammps/lammps-stable_29Sep2021/examples/PACKAGES/phonon/2-1D-diatomic/
H A Din.Ana37 fix 4 all phonon 10 50000 500000 map.in phonon sysdim 1
H A Dlog.lammps52 fix 4 all phonon 10 50000 500000 map.in phonon sysdim 1
/dports/science/lammps/lammps-stable_29Sep2021/examples/PACKAGES/phonon/1-1D-mono/
H A Din.Ana40 fix 4 all phonon 10 50000 500000 map.in phonon sysdim 1
H A Dlog.lammps55 fix 4 all phonon 10 50000 500000 map.in phonon sysdim 1