forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12232 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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sjplimp
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fe1ade5fad
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@ -535,43 +535,44 @@ package</A>.
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<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/coul/msm/omp</A></TD><TD ><A HREF = "pair_buck.html">buck/cuda</A></TD><TD ><A HREF = "pair_buck_long.html">buck/long/coul/long/omp</A></TD><TD ><A HREF = "pair_buck.html">buck/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/omp</A></TD><TD ><A HREF = "pair_colloid.html">colloid/gpu</A></TD><TD ><A HREF = "pair_colloid.html">colloid/omp</A></TD><TD ><A HREF = "pair_comb.html">comb/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_coul.html">coul/cut/gpu</A></TD><TD ><A HREF = "pair_coul.html">coul/cut/omp</A></TD><TD ><A HREF = "pair_lj_soft.html">coul/cut/soft/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/debye/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_coul.html">coul/debye/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/dsf/gpu</A></TD><TD ><A HREF = "pair_coul.html">coul/dsf/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/long/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_coul.html">coul/long/omp</A></TD><TD ><A HREF = "pair_lj_soft.html">coul/long/soft/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/msm/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/wolf</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_dpd.html">dpd/omp</A></TD><TD ><A HREF = "pair_dpd.html">dpd/tstat/omp</A></TD><TD ><A HREF = "pair_eam.html">eam/alloy/cuda</A></TD><TD ><A HREF = "pair_eam.html">eam/alloy/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/alloy/omp</A></TD><TD ><A HREF = "pair_eam.html">eam/alloy/opt</A></TD><TD ><A HREF = "pair_eam.html">eam/cd/omp</A></TD><TD ><A HREF = "pair_eam.html">eam/cuda</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/fs/cuda</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/gpu</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/omp</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/opt</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/gpu</A></TD><TD ><A HREF = "pair_eam.html">eam/omp</A></TD><TD ><A HREF = "pair_eam.html">eam/opt</A></TD><TD ><A HREF = "pair_edip.html">edip/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_eim.html">eim/omp</A></TD><TD ><A HREF = "pair_gauss.html">gauss/gpu</A></TD><TD ><A HREF = "pair_gauss.html">gauss/omp</A></TD><TD ><A HREF = "pair_gayberne.html">gayberne/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_gayberne.html">gayberne/omp</A></TD><TD ><A HREF = "pair_gran.html">gran/hertz/history/omp</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/cuda</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/history/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_gran.html">gran/hooke/omp</A></TD><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/lj/omp</A></TD><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/morse/omp</A></TD><TD ><A HREF = "pair_line_lj.html">line/lj/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/gpu</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/omp</A></TD><TD ><A HREF = "pair_lj_soft.html">lj/charmm/coul/long/soft</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj_soft.html">lj/charmm/coul/long/soft/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/cuda</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/gpu</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/msm/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/cuda</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/gpu</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/omp</A></TD><TD ><A HREF = "pair_lj_long.html">lj/long/coul/long/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/cuda</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/omp</A></TD><TD ><A HREF = "pair_lj_soft.html">lj/cut/coul/cut/soft/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/cuda</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/dsf/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/dsf/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/opt</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/msm/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/msm/opt</A></TD><TD ><A HREF = "pair_lj_soft.html">lj/cut/coul/long/soft/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/cuda</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/kk</A></TD><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/cut/gpu</A></TD><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/cut/omp</A></TD><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/sf/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/sf/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/experimental/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/opt</A></TD><TD ><A HREF = "pair_lj_soft.html">lj/cut/soft/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/cut/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/long/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/long/opt</A></TD><TD ><A HREF = "pair_lj_soft.html">lj/cut/tip4p/long/soft/omp</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/cuda</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj_expand.html">lj/expand/omp</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs/cuda</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs/omp</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/cuda</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_gromacs.html">lj/gromacs/gpu</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/omp</A></TD><TD ><A HREF = "pair_lj_long.html">lj/long/coul/long/opt</A></TD><TD ><A HREF = "pair_sdk.html">lj/sdk/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_sdk.html">lj/sdk/omp</A></TD><TD ><A HREF = "pair_sdk.html">lj/sdk/coul/long/gpu</A></TD><TD ><A HREF = "pair_sdk.html">lj/sdk/coul/long/omp</A></TD><TD ><A HREF = "pair_sdk.html">lj/sdk/coul/msm/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj_sf.html">lj/sf/omp</A></TD><TD ><A HREF = "pair_lj_smooth.html">lj/smooth/cuda</A></TD><TD ><A HREF = "pair_lj_smooth.html">lj/smooth/omp</A></TD><TD ><A HREF = "pair_lj_smooth_linear.html">lj/smooth/linear/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj96.html">lj96/cut/cuda</A></TD><TD ><A HREF = "pair_lj96.html">lj96/cut/gpu</A></TD><TD ><A HREF = "pair_lj96.html">lj96/cut/omp</A></TD><TD ><A HREF = "pair_lubricate.html">lubricate/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lubricate.html">lubricate/poly/omp</A></TD><TD ><A HREF = "pair_meam_spline.html">meam/spline/omp</A></TD><TD ><A HREF = "pair_mie.html">mie/cut/gpu</A></TD><TD ><A HREF = "pair_morse.html">morse/cuda</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_morse.html">morse/gpu</A></TD><TD ><A HREF = "pair_morse.html">morse/omp</A></TD><TD ><A HREF = "pair_morse.html">morse/opt</A></TD><TD ><A HREF = "pair_nb3b_harmonic.html">nb3b/harmonic/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_nm.html">nm/cut/omp</A></TD><TD ><A HREF = "pair_nm.html">nm/cut/coul/cut/omp</A></TD><TD ><A HREF = "pair_nm.html">nm/cut/coul/long/omp</A></TD><TD ><A HREF = "pair_peri.html">peri/lps/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_peri.html">peri/pmb/omp</A></TD><TD ><A HREF = "pair_airebo.html">rebo/omp</A></TD><TD ><A HREF = "pair_resquared.html">resquared/gpu</A></TD><TD ><A HREF = "pair_resquared.html">resquared/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_soft.html">soft/gpu</A></TD><TD ><A HREF = "pair_soft.html">soft/omp</A></TD><TD ><A HREF = "pair_sw.html">sw/cuda</A></TD><TD ><A HREF = "pair_sw.html">sw/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_sw.html">sw/omp</A></TD><TD ><A HREF = "pair_table.html">table/gpu</A></TD><TD ><A HREF = "pair_table.html">table/kk</A></TD><TD ><A HREF = "pair_table.html">table/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_tersoff.html">tersoff/cuda</A></TD><TD ><A HREF = "pair_tersoff.html">tersoff/omp</A></TD><TD ><A HREF = "pair_tersoff_mod.html">tersoff/mod/omp</A></TD><TD ><A HREF = "pair_tersoff.html">tersoff/table/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_tersoff_zbl.html">tersoff/zbl/omp</A></TD><TD ><A HREF = "pair_coul.html">tip4p/cut/omp</A></TD><TD ><A HREF = "pair_coul.html">tip4p/long/omp</A></TD><TD ><A HREF = "pair_lj_soft.html">tip4p/long/soft/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_tri_lj.html">tri/lj/omp</A></TD><TD ><A HREF = "pair_yukawa.html">yukawa/gpu</A></TD><TD ><A HREF = "pair_yukawa.html">yukawa/omp</A></TD><TD ><A HREF = "pair_yukawa_colloid.html">yukawa/colloid/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_yukawa_colloid.html">yukawa/colloid/omp</A></TD><TD ><A HREF = "pair_zbl.html">zbl/omp</A>
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<TR ALIGN="center"><TD ><A HREF = "pair_coul.html">coul/debye/omp</A></TD><TD ><A HREF = "pair_diel.html">coul/diel/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/dsf/gpu</A></TD><TD ><A HREF = "pair_coul.html">coul/dsf/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_coul.html">coul/long/gpu</A></TD><TD ><A HREF = "pair_coul.html">coul/long/omp</A></TD><TD ><A HREF = "pair_lj_soft.html">coul/long/soft/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/msm/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_coul.html">coul/wolf</A></TD><TD ><A HREF = "pair_lj_soft.html">coul/cut/soft/omp</A></TD><TD ><A HREF = "pair_lj_soft.html">coul/long/soft/omp</A></TD><TD ><A HREF = "pair_dpd.html">dpd/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_dpd.html">dpd/tstat/omp</A></TD><TD ><A HREF = "pair_eam.html">eam/alloy/cuda</A></TD><TD ><A HREF = "pair_eam.html">eam/alloy/gpu</A></TD><TD ><A HREF = "pair_eam.html">eam/alloy/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/alloy/opt</A></TD><TD ><A HREF = "pair_eam.html">eam/cd/omp</A></TD><TD ><A HREF = "pair_eam.html">eam/cuda</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/cuda</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/fs/gpu</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/omp</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/opt</A></TD><TD ><A HREF = "pair_eam.html">eam/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/omp</A></TD><TD ><A HREF = "pair_eam.html">eam/opt</A></TD><TD ><A HREF = "pair_edip.html">edip/omp</A></TD><TD ><A HREF = "pair_eim.html">eim/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_gauss.html">gauss/gpu</A></TD><TD ><A HREF = "pair_gauss.html">gauss/omp</A></TD><TD ><A HREF = "pair_gayberne.html">gayberne/gpu</A></TD><TD ><A HREF = "pair_gayberne.html">gayberne/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_gran.html">gran/hertz/history/omp</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/cuda</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/history/omp</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/lj/omp</A></TD><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/morse/omp</A></TD><TD ><A HREF = "pair_line_lj.html">line/lj/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/cuda</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/cuda</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/gpu</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/omp</A></TD><TD ><A HREF = "pair_lj_soft.html">lj/charmm/coul/long/soft</A></TD><TD ><A HREF = "pair_lj_soft.html">lj/charmm/coul/long/soft/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/msm/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/omp</A></TD><TD ><A HREF = "pair_lj_long.html">lj/long/coul/long/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/omp</A></TD><TD ><A HREF = "pair_lj_soft.html">lj/cut/coul/cut/soft/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/dsf/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/dsf/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/cuda</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/opt</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/msm/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/msm/opt</A></TD><TD ><A HREF = "pair_lj_soft.html">lj/cut/coul/long/soft/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/kk</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/cut/gpu</A></TD><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/cut/omp</A></TD><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/sf/gpu</A></TD><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/sf/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/experimental/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/opt</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj_soft.html">lj/cut/soft/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/cut/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/long/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/long/opt</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj_soft.html">lj/cut/tip4p/long/soft/omp</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/cuda</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/gpu</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs/cuda</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs/omp</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/cuda</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/gpu</A></TD></TR>
|
||||
<TR ALIGN="center"><TD ><A HREF = "pair_gromacs.html">lj/gromacs/omp</A></TD><TD ><A HREF = "pair_lj_long.html">lj/long/coul/long/opt</A></TD><TD ><A HREF = "pair_sdk.html">lj/sdk/gpu</A></TD><TD ><A HREF = "pair_sdk.html">lj/sdk/omp</A></TD></TR>
|
||||
<TR ALIGN="center"><TD ><A HREF = "pair_sdk.html">lj/sdk/coul/long/gpu</A></TD><TD ><A HREF = "pair_sdk.html">lj/sdk/coul/long/omp</A></TD><TD ><A HREF = "pair_sdk.html">lj/sdk/coul/msm/omp</A></TD><TD ><A HREF = "pair_lj_sf.html">lj/sf/omp</A></TD></TR>
|
||||
<TR ALIGN="center"><TD ><A HREF = "pair_lj_smooth.html">lj/smooth/cuda</A></TD><TD ><A HREF = "pair_lj_smooth.html">lj/smooth/omp</A></TD><TD ><A HREF = "pair_lj_smooth_linear.html">lj/smooth/linear/omp</A></TD><TD ><A HREF = "pair_lj96.html">lj96/cut/cuda</A></TD></TR>
|
||||
<TR ALIGN="center"><TD ><A HREF = "pair_lj96.html">lj96/cut/gpu</A></TD><TD ><A HREF = "pair_lj96.html">lj96/cut/omp</A></TD><TD ><A HREF = "pair_lubricate.html">lubricate/omp</A></TD><TD ><A HREF = "pair_lubricate.html">lubricate/poly/omp</A></TD></TR>
|
||||
<TR ALIGN="center"><TD ><A HREF = "pair_meam_spline.html">meam/spline/omp</A></TD><TD ><A HREF = "pair_mie.html">mie/cut/gpu</A></TD><TD ><A HREF = "pair_morse.html">morse/cuda</A></TD><TD ><A HREF = "pair_morse.html">morse/gpu</A></TD></TR>
|
||||
<TR ALIGN="center"><TD ><A HREF = "pair_morse.html">morse/omp</A></TD><TD ><A HREF = "pair_morse.html">morse/opt</A></TD><TD ><A HREF = "pair_nb3b_harmonic.html">nb3b/harmonic/omp</A></TD><TD ><A HREF = "pair_nm.html">nm/cut/omp</A></TD></TR>
|
||||
<TR ALIGN="center"><TD ><A HREF = "pair_nm.html">nm/cut/coul/cut/omp</A></TD><TD ><A HREF = "pair_nm.html">nm/cut/coul/long/omp</A></TD><TD ><A HREF = "pair_peri.html">peri/lps/omp</A></TD><TD ><A HREF = "pair_peri.html">peri/pmb/omp</A></TD></TR>
|
||||
<TR ALIGN="center"><TD ><A HREF = "pair_airebo.html">rebo/omp</A></TD><TD ><A HREF = "pair_resquared.html">resquared/gpu</A></TD><TD ><A HREF = "pair_resquared.html">resquared/omp</A></TD><TD ><A HREF = "pair_soft.html">soft/gpu</A></TD></TR>
|
||||
<TR ALIGN="center"><TD ><A HREF = "pair_soft.html">soft/omp</A></TD><TD ><A HREF = "pair_sw.html">sw/cuda</A></TD><TD ><A HREF = "pair_sw.html">sw/gpu</A></TD><TD ><A HREF = "pair_sw.html">sw/omp</A></TD></TR>
|
||||
<TR ALIGN="center"><TD ><A HREF = "pair_table.html">table/gpu</A></TD><TD ><A HREF = "pair_table.html">table/kk</A></TD><TD ><A HREF = "pair_table.html">table/omp</A></TD><TD ><A HREF = "pair_tersoff.html">tersoff/cuda</A></TD></TR>
|
||||
<TR ALIGN="center"><TD ><A HREF = "pair_tersoff.html">tersoff/omp</A></TD><TD ><A HREF = "pair_tersoff_mod.html">tersoff/mod/omp</A></TD><TD ><A HREF = "pair_tersoff.html">tersoff/table/omp</A></TD><TD ><A HREF = "pair_tersoff_zbl.html">tersoff/zbl/omp</A></TD></TR>
|
||||
<TR ALIGN="center"><TD ><A HREF = "pair_coul.html">tip4p/cut/omp</A></TD><TD ><A HREF = "pair_coul.html">tip4p/long/omp</A></TD><TD ><A HREF = "pair_lj_soft.html">tip4p/long/soft/omp</A></TD><TD ><A HREF = "pair_tri_lj.html">tri/lj/omp</A></TD></TR>
|
||||
<TR ALIGN="center"><TD ><A HREF = "pair_yukawa.html">yukawa/gpu</A></TD><TD ><A HREF = "pair_yukawa.html">yukawa/omp</A></TD><TD ><A HREF = "pair_yukawa_colloid.html">yukawa/colloid/gpu</A></TD><TD ><A HREF = "pair_yukawa_colloid.html">yukawa/colloid/omp</A></TD></TR>
|
||||
<TR ALIGN="center"><TD ><A HREF = "pair_zbl.html">zbl/omp</A>
|
||||
</TD></TR></TABLE></DIV>
|
||||
|
||||
<HR>
|
||||
|
|
|
|||
|
|
@ -910,6 +910,7 @@ package"_Section_accelerate.html.
|
|||
"coul/cut/soft/omp"_pair_lj_soft.html,
|
||||
"coul/debye/gpu"_pair_coul.html,
|
||||
"coul/debye/omp"_pair_coul.html,
|
||||
"coul/diel/omp"_pair_diel.html,
|
||||
"coul/dsf/gpu"_pair_coul.html,
|
||||
"coul/dsf/omp"_pair_coul.html,
|
||||
"coul/long/gpu"_pair_coul.html,
|
||||
|
|
@ -917,6 +918,8 @@ package"_Section_accelerate.html.
|
|||
"coul/long/soft/omp"_pair_lj_soft.html,
|
||||
"coul/msm/omp"_pair_coul.html,
|
||||
"coul/wolf"_pair_coul.html,
|
||||
"coul/cut/soft/omp"_pair_lj_soft.html,
|
||||
"coul/long/soft/omp"_pair_lj_soft.html,
|
||||
"dpd/omp"_pair_dpd.html,
|
||||
"dpd/tstat/omp"_pair_dpd.html,
|
||||
"eam/alloy/cuda"_pair_eam.html,
|
||||
|
|
|
|||
|
|
@ -383,7 +383,7 @@ simulations with soft-core pair potentials in LAMMPS.
|
|||
<LI><A HREF = "compute_fep.html">compute fep</A>
|
||||
<LI><A HREF = "pair_lj_soft.html">soft pair styles</A>
|
||||
</UL>
|
||||
<P>The person who created this package is Agilio Padua at Université
|
||||
<P>The person who created this package is Agilio Padua at Universite
|
||||
Blaise Pascal Clermont-Ferrand (agilio.padua at univ-bpclermont.fr)
|
||||
Contact him directly if you have questions.
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -370,7 +370,7 @@ See these doc pages and their related commands to get started:
|
|||
"compute fep"_compute_fep.html
|
||||
"soft pair styles"_pair_lj_soft.html :ul
|
||||
|
||||
The person who created this package is Agilio Padua at Université
|
||||
The person who created this package is Agilio Padua at Universite
|
||||
Blaise Pascal Clermont-Ferrand (agilio.padua at univ-bpclermont.fr)
|
||||
Contact him directly if you have questions.
|
||||
|
||||
|
|
|
|||
|
|
@ -243,7 +243,7 @@ with various highlighting options setup.
|
|||
post-processing results from performing free-energy perturbation
|
||||
simulations using the USER-FEP package.
|
||||
</P>
|
||||
<P>The scripts were contributed by Agilio Padua (Université Blaise
|
||||
<P>The scripts were contributed by Agilio Padua (Universite Blaise
|
||||
Pascal Clermont-Ferrand), agilio.padua at univ-bpclermont.fr.
|
||||
</P>
|
||||
<P>See README file in the tools/fep directory.
|
||||
|
|
|
|||
|
|
@ -239,7 +239,7 @@ The tools/fep directory contains Python scripts useful for
|
|||
post-processing results from performing free-energy perturbation
|
||||
simulations using the USER-FEP package.
|
||||
|
||||
The scripts were contributed by Agilio Padua (Université Blaise
|
||||
The scripts were contributed by Agilio Padua (Universite Blaise
|
||||
Pascal Clermont-Ferrand), agilio.padua at univ-bpclermont.fr.
|
||||
|
||||
See README file in the tools/fep directory.
|
||||
|
|
|
|||
|
|
@ -209,7 +209,9 @@ created atom, one for y, and one for z.
|
|||
<P>When an atom is created, its x, y, or z coordinates override the
|
||||
formula for any <I>set</I> variable that is defined. The <I>var</I> variable is
|
||||
then evaluated. If the returned value is 0.0, the atom is not
|
||||
created. If it is non-zero, the atom is created.
|
||||
created. If it is non-zero, the atom is created. After all atoms are
|
||||
created, the formulas defined for all of the <I>set</I> variables are
|
||||
restored to their original strings.
|
||||
</P>
|
||||
<P>As an example, these commands can be used in a 2d simulation, to
|
||||
create a sinusoidal surface. Note that the surface is "rough" due to
|
||||
|
|
|
|||
|
|
@ -200,7 +200,9 @@ created atom, one for y, and one for z.
|
|||
When an atom is created, its x, y, or z coordinates override the
|
||||
formula for any {set} variable that is defined. The {var} variable is
|
||||
then evaluated. If the returned value is 0.0, the atom is not
|
||||
created. If it is non-zero, the atom is created.
|
||||
created. If it is non-zero, the atom is created. After all atoms are
|
||||
created, the formulas defined for all of the {set} variables are
|
||||
restored to their original strings.
|
||||
|
||||
As an example, these commands can be used in a 2d simulation, to
|
||||
create a sinusoidal surface. Note that the surface is "rough" due to
|
||||
|
|
|
|||
|
|
@ -91,7 +91,9 @@
|
|||
c_ID[N] = Nth column of per-atom array calculated by a compute with ID
|
||||
f_ID = per-atom vector calculated by a fix with ID
|
||||
f_ID[N] = Nth column of per-atom array calculated by a fix with ID
|
||||
v_name = per-atom vector calculated by an atom-style variable with name
|
||||
v_name = per-atom vector calculated by an atom-style variable with name
|
||||
d_name = per-atom floating point vector with name, managed by fix property/atom
|
||||
i_name = per-atom integer vector with name, managed by fix property/atom
|
||||
</PRE>
|
||||
|
||||
</UL>
|
||||
|
|
@ -567,6 +569,10 @@ invoke other computes, fixes, or variables when they are evaluated, so
|
|||
this is a very general means of creating quantities to output to a
|
||||
dump file.
|
||||
</P>
|
||||
<P>The <I>d_name</I> and <I>i_name</I> attributes allow to output custom per atom
|
||||
floating point or integer properties that are managed by
|
||||
<A HREF = "fix_property_atom.html">fix property/atom</A>.
|
||||
</P>
|
||||
<P>See <A HREF = "Section_modify.html">Section_modify</A> of the manual for information
|
||||
on how to add new compute and fix styles to LAMMPS to calculate
|
||||
per-atom quantities which could then be output into dump files.
|
||||
|
|
@ -608,7 +614,7 @@ machines.
|
|||
</P>
|
||||
<P><B>Default:</B>
|
||||
</P>
|
||||
<P>The defaults for the image style are listed on the <A HREF = "dump_image.html">dump
|
||||
image</A> doc page.
|
||||
<P>The defaults for the <I>image</I> and <I>movie</I> styles are listed on the
|
||||
<A HREF = "dump_image.html">dump image</A> doc page.
|
||||
</P>
|
||||
</HTML>
|
||||
|
|
|
|||
12
doc/dump.txt
12
doc/dump.txt
|
|
@ -78,7 +78,9 @@ args = list of arguments for a particular style :l
|
|||
c_ID\[N\] = Nth column of per-atom array calculated by a compute with ID
|
||||
f_ID = per-atom vector calculated by a fix with ID
|
||||
f_ID\[N\] = Nth column of per-atom array calculated by a fix with ID
|
||||
v_name = per-atom vector calculated by an atom-style variable with name :pre
|
||||
v_name = per-atom vector calculated by an atom-style variable with name
|
||||
d_name = per-atom floating point vector with name, managed by fix property/atom
|
||||
i_name = per-atom integer vector with name, managed by fix property/atom :pre
|
||||
:ule
|
||||
|
||||
[Examples:]
|
||||
|
|
@ -553,6 +555,10 @@ invoke other computes, fixes, or variables when they are evaluated, so
|
|||
this is a very general means of creating quantities to output to a
|
||||
dump file.
|
||||
|
||||
The {d_name} and {i_name} attributes allow to output custom per atom
|
||||
floating point or integer properties that are managed by
|
||||
"fix property/atom"_fix_property_atom.html.
|
||||
|
||||
See "Section_modify"_Section_modify.html of the manual for information
|
||||
on how to add new compute and fix styles to LAMMPS to calculate
|
||||
per-atom quantities which could then be output into dump files.
|
||||
|
|
@ -594,5 +600,5 @@ machines.
|
|||
|
||||
[Default:]
|
||||
|
||||
The defaults for the image style are listed on the "dump
|
||||
image"_dump_image.html doc page.
|
||||
The defaults for the {image} and {movie} styles are listed on the
|
||||
"dump image"_dump_image.html doc page.
|
||||
|
|
|
|||
|
|
@ -504,8 +504,11 @@ documentation for details on how to compile with optional switches.
|
|||
LAMMPS has limited control over its execution and no knowledge about
|
||||
errors and warnings printed by it. Those warnings and error messages
|
||||
will be printed to the screen only. Due to the way image data is
|
||||
communicated to FFmpeg, it will often print the message + pipe::
|
||||
Input/output error :pre + which can be safely ignored. Other warnings
|
||||
communicated to FFmpeg, it will often print the message
|
||||
</P>
|
||||
<PRE>pipe:: Input/output error
|
||||
</PRE>
|
||||
<P>which can be safely ignored. Other warnings
|
||||
and errors have to be addressed according to the FFmpeg documentation.
|
||||
One known issue is that certain movie file formats (e.g. MPEG level 1
|
||||
and 2 format streams) have video bandwith limits that can be crossed
|
||||
|
|
|
|||
|
|
@ -490,8 +490,11 @@ Note that since FFmpeg is run as an external program via a pipe,
|
|||
LAMMPS has limited control over its execution and no knowledge about
|
||||
errors and warnings printed by it. Those warnings and error messages
|
||||
will be printed to the screen only. Due to the way image data is
|
||||
communicated to FFmpeg, it will often print the message + pipe::
|
||||
Input/output error :pre + which can be safely ignored. Other warnings
|
||||
communicated to FFmpeg, it will often print the message
|
||||
|
||||
pipe:: Input/output error :pre
|
||||
|
||||
which can be safely ignored. Other warnings
|
||||
and errors have to be addressed according to the FFmpeg documentation.
|
||||
One known issue is that certain movie file formats (e.g. MPEG level 1
|
||||
and 2 format streams) have video bandwith limits that can be crossed
|
||||
|
|
|
|||
|
|
@ -58,7 +58,7 @@
|
|||
</PRE>
|
||||
<LI>these keywords apply only to the <I>image</I> and <I>movie</I> <A HREF = "dump_image.html">styles</A>
|
||||
|
||||
<LI>keyword = <I>acolor</I> or <I>adiam</I> or <I>amap</I> or <I>backcolor</I> or <I>bcolor</I> or <I>bdiam</I> or <I>bitrate</I> or <I>boxcolor</I> or <I>color</I> or <I>framerate</I>
|
||||
<LI>keyword = <I>acolor</I> or <I>adiam</I> or <I>amap</I> or <I>backcolor</I> or <I>bcolor</I> or <I>bdiam</I> or <I>boxcolor</I> or <I>color</I> or <I>bitrate</I> or <I>framerate</I>
|
||||
|
||||
<PRE> <I>acolor</I> args = type color
|
||||
type = atom type or range of types (see below)
|
||||
|
|
@ -94,13 +94,13 @@
|
|||
<I>bdiam</I> args = type diam
|
||||
type = bond type or range of types (see below)
|
||||
diam = diameter of bonds of that type (distance units)
|
||||
<I>bitrate</I> arg = rate
|
||||
rate = target bitrate for movie in kbps
|
||||
<I>boxcolor</I> arg = color
|
||||
color = name of color for box lines
|
||||
<I>color</I> args = name R G B
|
||||
name = name of color
|
||||
R,G,B = red/green/blue numeric values from 0.0 to 1.0
|
||||
<I>bitrate</I> arg = rate
|
||||
rate = target bitrate for movie in kbps
|
||||
<I>framerate</I> arg = fps
|
||||
fps = frames per second for movie
|
||||
</PRE>
|
||||
|
|
|
|||
|
|
@ -49,7 +49,7 @@ keyword = {append} or {buffer} or {element} or {every} or {fileper} or {first} o
|
|||
these 3 args can be replaced by the word "none" to turn off thresholding
|
||||
{unwrap} arg = {yes} or {no} :pre
|
||||
these keywords apply only to the {image} and {movie} "styles"_dump_image.html :l
|
||||
keyword = {acolor} or {adiam} or {amap} or {backcolor} or {bcolor} or {bdiam} or {bitrate} or {boxcolor} or {color} or {framerate} :l
|
||||
keyword = {acolor} or {adiam} or {amap} or {backcolor} or {bcolor} or {bdiam} or {boxcolor} or {color} or {bitrate} or {framerate} :l
|
||||
{acolor} args = type color
|
||||
type = atom type or range of types (see below)
|
||||
color = name of color or color1/color2/...
|
||||
|
|
@ -84,13 +84,13 @@ keyword = {acolor} or {adiam} or {amap} or {backcolor} or {bcolor} or {bdiam} or
|
|||
{bdiam} args = type diam
|
||||
type = bond type or range of types (see below)
|
||||
diam = diameter of bonds of that type (distance units)
|
||||
{bitrate} arg = rate
|
||||
rate = target bitrate for movie in kbps
|
||||
{boxcolor} arg = color
|
||||
color = name of color for box lines
|
||||
{color} args = name R G B
|
||||
name = name of color
|
||||
R,G,B = red/green/blue numeric values from 0.0 to 1.0
|
||||
{bitrate} arg = rate
|
||||
rate = target bitrate for movie in kbps
|
||||
{framerate} arg = fps
|
||||
fps = frames per second for movie :pre
|
||||
:ule
|
||||
|
|
|
|||
|
|
@ -31,6 +31,8 @@ for preventing certain particles from moving in a simulation. The
|
|||
<A HREF = "pair_gran.html">granular pair styles</A> also detect if this fix has been
|
||||
defined and compute interactions between frozen and non-frozen
|
||||
particles appropriately, as if the frozen particle has infinite mass.
|
||||
A similar functionality for normal (point) particles can be obtained
|
||||
using <A HREF = "fix_setforce.html">fix setforce</A>.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
|
|
@ -82,9 +84,9 @@ the <A HREF = "pair_gran.html">granular pair styles</A> treat frozen particles
|
|||
differently and need to be able to reference a single group to which
|
||||
this fix is applied.
|
||||
</P>
|
||||
<P><B>Related commands:</B> none
|
||||
<P><B>Related commands:</B>
|
||||
</P>
|
||||
<P><A HREF = "atom_style.html">atom_style sphere</A>
|
||||
<P><A HREF = "atom_style.html">atom_style sphere</A>, <A HREF = "fix_setforce.html">fix setforce</A>
|
||||
</P>
|
||||
<P><B>Default:</B> none
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -27,6 +27,8 @@ for preventing certain particles from moving in a simulation. The
|
|||
"granular pair styles"_pair_gran.html also detect if this fix has been
|
||||
defined and compute interactions between frozen and non-frozen
|
||||
particles appropriately, as if the frozen particle has infinite mass.
|
||||
A similar functionality for normal (point) particles can be obtained
|
||||
using "fix setforce"_fix_setforce.html.
|
||||
|
||||
:line
|
||||
|
||||
|
|
@ -78,8 +80,8 @@ the "granular pair styles"_pair_gran.html treat frozen particles
|
|||
differently and need to be able to reference a single group to which
|
||||
this fix is applied.
|
||||
|
||||
[Related commands:] none
|
||||
[Related commands:]
|
||||
|
||||
"atom_style sphere"_atom_style.html
|
||||
"atom_style sphere"_atom_style.html, "fix setforce"_fix_setforce.html
|
||||
|
||||
[Default:] none
|
||||
|
|
|
|||
|
|
@ -195,7 +195,7 @@ the <A HREF = "dimension">dimension</A> command, and nasr = 20.
|
|||
|
||||
<P><B>(Campañá)</B> C. Campañá and
|
||||
M. H. Müser, <I>Practical Green's function approach to the
|
||||
simulation of elastic semi-infinite solids</I>, <A HREF = "http://dx.doi.org/10.1103/PhysRevB.74.075420">Phys. Rev. B <B>74</B>,
|
||||
simulation of elastic semi-infinite solids</I>, <A HREF = "http://dx.doi.org/10.1103/PhysRevB.74.075420">Phys. Rev. B [74],
|
||||
075420 (2006)</A>
|
||||
</P>
|
||||
<A NAME = "Kong"></A>
|
||||
|
|
@ -203,19 +203,19 @@ simulation of elastic semi-infinite solids</I>, <A HREF = "http://dx.doi.org/10.
|
|||
<P><B>(Kong)</B> L.T. Kong, G. Bartels, C. Campañá,
|
||||
C. Denniston, and Martin H. Müser, <I>Implementation of Green's
|
||||
function molecular dynamics: An extension to LAMMPS</I>, <A HREF = "http://dx.doi.org/10.1016/j.cpc.2008.12.035">Computer
|
||||
Physics Communications <B>180</B>(6):1004-1010
|
||||
Physics Communications [180](6):1004-1010
|
||||
(2009).</A>
|
||||
</P>
|
||||
<P>L.T. Kong, C. Denniston, and Martin H. Müser,
|
||||
<I>An improved version of the Green's function molecular dynamics
|
||||
method</I>, <A HREF = "http://dx.doi.org/10.1016/j.cpc.2010.10.006">Computer Physics Communications <B>182</B>(2):540-541
|
||||
method</I>, <A HREF = "http://dx.doi.org/10.1016/j.cpc.2010.10.006">Computer Physics Communications [182](2):540-541
|
||||
(2011).</A>
|
||||
</P>
|
||||
<A NAME = "Kong2011"></A>
|
||||
|
||||
<P><B>(Kong2011)</B> L.T. Kong, <I>Phonon dispersion measured directly from
|
||||
molecular dynamics simulations</I>, <A HREF = "http://dx.doi.org/10.1016/j.cpc.2011.04.019">Computer Physics Communications
|
||||
<B>182</B>(10):2201-2207,
|
||||
[182](10):2201-2207,
|
||||
(2011).</A>
|
||||
</P>
|
||||
</HTML>
|
||||
|
|
|
|||
|
|
@ -180,23 +180,23 @@ the "dimension"_dimension command, and nasr = 20.
|
|||
:link(Campana)
|
||||
[(Campañá)] C. Campañá and
|
||||
M. H. Müser, {Practical Green's function approach to the
|
||||
simulation of elastic semi-infinite solids}, "Phys. Rev. B [74],
|
||||
simulation of elastic semi-infinite solids}, "Phys. Rev. B \[74\],
|
||||
075420 (2006)"_http://dx.doi.org/10.1103/PhysRevB.74.075420
|
||||
|
||||
:link(Kong)
|
||||
[(Kong)] L.T. Kong, G. Bartels, C. Campañá,
|
||||
C. Denniston, and Martin H. Müser, {Implementation of Green's
|
||||
function molecular dynamics: An extension to LAMMPS}, "Computer
|
||||
Physics Communications [180](6):1004-1010
|
||||
Physics Communications \[180\](6):1004-1010
|
||||
(2009)."_http://dx.doi.org/10.1016/j.cpc.2008.12.035
|
||||
|
||||
L.T. Kong, C. Denniston, and Martin H. Müser,
|
||||
{An improved version of the Green's function molecular dynamics
|
||||
method}, "Computer Physics Communications [182](2):540-541
|
||||
method}, "Computer Physics Communications \[182\](2):540-541
|
||||
(2011)."_http://dx.doi.org/10.1016/j.cpc.2010.10.006
|
||||
|
||||
:link(Kong2011)
|
||||
[(Kong2011)] L.T. Kong, {Phonon dispersion measured directly from
|
||||
molecular dynamics simulations}, "Computer Physics Communications
|
||||
[182](10):2201-2207,
|
||||
\[182\](10):2201-2207,
|
||||
(2011)."_http://dx.doi.org/10.1016/j.cpc.2011.04.019
|
||||
|
|
|
|||
|
|
@ -28,8 +28,9 @@
|
|||
vx, vy, vz, fx, fy, fz,
|
||||
q, mux, muy, muz,
|
||||
radius, omegax, omegay, omegaz,
|
||||
angmomx, angmomy, angmomz, tqx, tqy, tqz
|
||||
c_ID, c_ID[N], f_ID, f_ID[N], v_name
|
||||
angmomx, angmomy, angmomz, tqx, tqy, tqz,
|
||||
c_ID, c_ID[N], f_ID, f_ID[N], v_name,
|
||||
d_name, i_name
|
||||
</PRE>
|
||||
<PRE> id = atom ID
|
||||
mol = molecule ID
|
||||
|
|
@ -51,7 +52,9 @@
|
|||
c_ID[I] = Ith column of per-atom array calculated by a compute with ID
|
||||
f_ID = per-atom vector calculated by a fix with ID
|
||||
f_ID[I] = Ith column of per-atom array calculated by a fix with ID
|
||||
v_name = per-atom vector calculated by an atom-style variable with name
|
||||
v_name = per-atom vector calculated by an atom-style variable with name
|
||||
d_name = per-atom floating point vector name, managed by fix property/atom
|
||||
i_name = per-atom integer vector name, managed by fix property/atom
|
||||
</PRE>
|
||||
<LI>zero or more keyword/value pairs may be appended
|
||||
|
||||
|
|
@ -130,7 +133,8 @@ minimization</A>.
|
|||
<P><B>Related commands:</B>
|
||||
</P>
|
||||
<P><A HREF = "dump.html">dump custom</A>, <A HREF = "compute_property_atom.html">compute
|
||||
property/atom</A>, <A HREF = "variable.html">variable</A>
|
||||
property/atom</A>,
|
||||
<A HREF = "fix_property_atom.html">fix property/atom</A>, <A HREF = "variable.html">variable</A>
|
||||
</P>
|
||||
<P><B>Default:</B>
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -21,8 +21,9 @@ input = one or more atom attributes :l
|
|||
vx, vy, vz, fx, fy, fz,
|
||||
q, mux, muy, muz,
|
||||
radius, omegax, omegay, omegaz,
|
||||
angmomx, angmomy, angmomz, tqx, tqy, tqz
|
||||
c_ID, c_ID\[N\], f_ID, f_ID\[N\], v_name :pre
|
||||
angmomx, angmomy, angmomz, tqx, tqy, tqz,
|
||||
c_ID, c_ID\[N\], f_ID, f_ID\[N\], v_name,
|
||||
d_name, i_name :pre
|
||||
|
||||
id = atom ID
|
||||
mol = molecule ID
|
||||
|
|
@ -44,7 +45,9 @@ input = one or more atom attributes :l
|
|||
c_ID\[I\] = Ith column of per-atom array calculated by a compute with ID
|
||||
f_ID = per-atom vector calculated by a fix with ID
|
||||
f_ID\[I\] = Ith column of per-atom array calculated by a fix with ID
|
||||
v_name = per-atom vector calculated by an atom-style variable with name :pre
|
||||
v_name = per-atom vector calculated by an atom-style variable with name
|
||||
d_name = per-atom floating point vector name, managed by fix property/atom
|
||||
i_name = per-atom integer vector name, managed by fix property/atom :pre
|
||||
|
||||
zero or more keyword/value pairs may be appended :l
|
||||
keyword = {com} :l
|
||||
|
|
@ -120,7 +123,8 @@ minimization"_minimize.html.
|
|||
[Related commands:]
|
||||
|
||||
"dump custom"_dump.html, "compute
|
||||
property/atom"_compute_property_atom.html, "variable"_variable.html
|
||||
property/atom"_compute_property_atom.html,
|
||||
"fix property/atom"_fix_property_atom.html, "variable"_variable.html
|
||||
|
||||
[Default:]
|
||||
|
||||
|
|
|
|||
|
|
@ -341,8 +341,7 @@ option.
|
|||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
</P>
|
||||
<P><A HREF = "partition.html">partition</A>, <A HREF = "Section_start.html#start_7">-reorder command-line
|
||||
switch</A>
|
||||
<P><A HREF = "partition.html">partition</A>, <A HREF = "Section_start.html#start_7">-reorder command-line switch</A>
|
||||
</P>
|
||||
<P><B>Default:</B>
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -334,8 +334,7 @@ The {part} keyword (for the receiving partition) only works with the
|
|||
|
||||
[Related commands:]
|
||||
|
||||
"partition"_partition.html, "-reorder command-line
|
||||
switch"_Section_start.html#start_7
|
||||
"partition"_partition.html, "-reorder command-line switch"_Section_start.html#start_7
|
||||
|
||||
[Default:]
|
||||
|
||||
|
|
|
|||
|
|
@ -45,7 +45,7 @@
|
|||
<I>native</I> = native LAMMPS dump file
|
||||
<I>xyz</I> = XYZ file
|
||||
<I>molfile</I> style path = VMD molfile plugin interface
|
||||
style = <I>dcd</I> or <I>xyz</I> or others supported by my molfile plugins
|
||||
style = <I>dcd</I> or <I>xyz</I> or others supported by molfile plugins
|
||||
path = optional path for location of molfile plugins
|
||||
</PRE>
|
||||
|
||||
|
|
|
|||
|
|
@ -36,7 +36,7 @@ keyword = {box} or {replace} or {purge} or {trim} or {add} or {label} or {scaled
|
|||
{native} = native LAMMPS dump file
|
||||
{xyz} = XYZ file
|
||||
{molfile} style path = VMD molfile plugin interface
|
||||
style = {dcd} or {xyz} or others supported by my molfile plugins
|
||||
style = {dcd} or {xyz} or others supported by molfile plugins
|
||||
path = optional path for location of molfile plugins :pre
|
||||
:ule
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue