Commit 53e7fee5 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

Merge branch 'doc-fixes' of github.com:akohlmey/lammps into doc-fixes

parents 5291f2ed 88d4150d

doc/src/pair_morse.txt

+2 −2
Original line number Diff line number Diff line
@@ -36,7 +36,7 @@ args = list of arguments for a particular style :ul 
pair_style morse 2.5

pair_style morse/smooth/linear 2.5

pair_coeff * * 100.0 2.0 1.5

pair_coeff 1 1 100.0 2.0 1.5 3.0

pair_coeff 1 1 100.0 2.0 1.5 3.0 :pre



pair_style morse/soft 4 0.9 10.0

pair_coeff * * 100.0 2.0 1.5 1.0

src/MC/pair_dsmc.cpp

+6 −6
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@@ -93,9 +93,9 @@ void PairDSMC::compute(int eflag, int vflag) 
    int ycell = static_cast<int>((x[i][1] - domain->boxlo[1])/celly);

    int zcell = static_cast<int>((x[i][2] - domain->boxlo[2])/cellz);



    if ((xcell < 0) or (xcell > ncellsx-1) or

        (ycell < 0) or (ycell > ncellsy-1) or

        (zcell < 0) or (zcell > ncellsz-1)) continue;

    if ((xcell < 0) || (xcell > ncellsx-1) ||

        (ycell < 0) || (ycell > ncellsy-1) ||

        (zcell < 0) || (zcell > ncellsz-1)) continue;



    int icell = xcell + ycell*ncellsx + zcell*ncellsx*ncellsy;

    itype = type[i];
@@ -146,7 +146,7 @@ void PairDSMC::compute(int eflag, int vflag) 
        double num_of_collisions_double = number_of_A * number_of_B *

          weighting * Vs_max * update->dt / vol;



        if ((itype == jtype) and number_of_B)

        if ((itype == jtype) && number_of_B)

          num_of_collisions_double *=

            0.5 * double(number_of_B - 1) / double(number_of_B);
@@ -161,8 +161,8 @@ void PairDSMC::compute(int eflag, int vflag) 
        // perform collisions on pairs of particles in icell



        for (int k = 0; k < num_of_collisions; k++) {

          if ((number_of_A < 1) or (number_of_B < 1)) break;

          if ((itype == jtype) and (number_of_A < 2)) break;

          if ((number_of_A < 1) || (number_of_B < 1)) break;

          if ((itype == jtype) && (number_of_A < 2)) break;

          int ith_A = static_cast<int>(random->uniform()*number_of_A);

          int jth_B = static_cast<int>(random->uniform()*number_of_B);

          int i = particle_list[itype][ith_A];

src/USER-OMP/npair_full_nsq_ghost_omp.h

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src/USER-OMP/npair_half_multi_newton_tri_omp.cpp

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src/USER-OMP/npair_half_respa_bin_newton_omp.cpp

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src/USER-OMP/npair_half_nsq_newtoff_ghost_omp.cpp

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src/USER-OMP/npair_half_nsq_newtoff_ghost_omp.h

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src/USER-OMP/npair_half_size_bin_newtoff_omp.cpp

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src/USER-OMP/npair_half_size_nsq_newtoff_omp.h

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src/USER-OMP/fix_nve_sphere_omp.cpp

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src/USER-OMP/npair_full_bin_ghost_omp.h

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src/USER-OMP/npair_half_respa_nsq_newtoff_omp.cpp

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src/USER-OMP/npair_half_respa_nsq_newton_omp.h

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src/USER-OMP/npair_half_size_nsq_newton_omp.h

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src/USER-OMP/pair_lj_cut_thole_long_omp.cpp

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src/USER-OMP/npair_half_bin_newtoff_ghost_omp.cpp

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src/USER-OMP/npair_half_size_bin_newtoff_omp.h

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src/USER-OMP/npair_half_size_bin_newton_omp.cpp

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src/USER-OMP/npair_half_size_bin_newton_tri_omp.cpp

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src/USER-OMP/npair_half_size_nsq_newton_omp.cpp

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src/USER-OMP/npair_half_bin_newtoff_ghost_omp.h

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src/USER-OMP/npair_half_respa_bin_newton_tri_omp.cpp

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src/USER-OMP/npair_half_respa_nsq_newtoff_omp.h

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src/USER-OMP/npair_half_respa_nsq_newton_omp.cpp

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src/USER-OMP/npair_half_size_nsq_newtoff_omp.cpp

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src/USER-OMP/pair_airebo_omp.cpp

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src/USER-OMP/npair_full_bin_omp.h

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src/USER-OMP/npair_full_multi_omp.h

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src/USER-OMP/npair_full_nsq_omp.h

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src/USER-OMP/npair_halffull_newton_omp.h

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src/USER-OMP/npair_half_respa_bin_newtoff_omp.h

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src/USER-OMP/npair_halffull_newtoff_omp.h

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src/USER-OMP/npair_half_respa_bin_newtoff_omp.cpp

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