forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8894 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
56887bc96f
commit
c8175c91d8
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@ -420,7 +420,7 @@ potentials. Click on the style itself for a full description:
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<TR ALIGN="center"><TD ><A HREF = "pair_none.html">none</A></TD><TD ><A HREF = "pair_hybrid.html">hybrid</A></TD><TD ><A HREF = "pair_hybrid.html">hybrid/overlay</A></TD><TD ><A HREF = "pair_adp.html">adp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_airebo.html">airebo</A></TD><TD ><A HREF = "pair_beck.html">beck</A></TD><TD ><A HREF = "pair_bop.html">bop</A></TD><TD ><A HREF = "pair_born.html">born</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_born.html">born/coul/long</A></TD><TD ><A HREF = "pair_born.html">born/coul/wolf</A></TD><TD ><A HREF = "pair_brownian.html">brownian</A></TD><TD ><A HREF = "pair_brownian.html">brownian/poly</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/cut</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/long</A></TD><TD ><A HREF = "pair_buck_disp.html">buck/disp/coul/long</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/cut</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/long</A></TD><TD ><A HREF = "pair_buck_long.html">buck/long/coul/long</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_colloid.html">colloid</A></TD><TD ><A HREF = "pair_comb.html">comb</A></TD><TD ><A HREF = "pair_coul.html">coul/cut</A></TD><TD ><A HREF = "pair_coul.html">coul/debye</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_coul.html">coul/dsf</A></TD><TD ><A HREF = "pair_coul.html">coul/long</A></TD><TD ><A HREF = "pair_coul.html">coul/wolf</A></TD><TD ><A HREF = "pair_dipole.html">dipole/cut</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_dpd.html">dpd</A></TD><TD ><A HREF = "pair_dpd.html">dpd/tstat</A></TD><TD ><A HREF = "pair_dsmc.html">dsmc</A></TD><TD ><A HREF = "pair_eam.html">eam</A></TD></TR>
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@ -430,7 +430,7 @@ potentials. Click on the style itself for a full description:
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<TR ALIGN="center"><TD ><A HREF = "pair_line_lj.html">line/lj</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long</A></TD><TD ><A HREF = "pair_lj.html">lj/cut</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/dsf</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/tip4p</A></TD><TD ><A HREF = "pair_lj_disp.html">lj/disp/coul/long</A></TD><TD ><A HREF = "pair_lj_disp.html">lj/disp/coul/long/tip4p</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj_long.html">lj/long/coul/long</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/long</A></TD><TD ><A HREF = "pair_lj_long.html">lj/long/tip4p/long</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_gromacs.html">lj/gromacs</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs</A></TD><TD ><A HREF = "pair_lj_smooth.html">lj/smooth</A></TD><TD ><A HREF = "pair_lj_smooth_linear.html">lj/smooth/linear</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj96.html">lj96/cut</A></TD><TD ><A HREF = "pair_lubricate.html">lubricate</A></TD><TD ><A HREF = "pair_lubricate.html">lubricate/poly</A></TD><TD ><A HREF = "pair_lubricateU.html">lubricateU</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lubricateU.html">lubricateU/poly</A></TD><TD ><A HREF = "pair_meam.html">meam</A></TD><TD ><A HREF = "pair_morse.html">morse</A></TD><TD ><A HREF = "pair_peri.html">peri/lps</A></TD></TR>
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@ -460,7 +460,7 @@ package</A>.
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<TR ALIGN="center"><TD ><A HREF = "pair_born.html">born/coul/long/gpu</A></TD><TD ><A HREF = "pair_born.html">born/coul/long/omp</A></TD><TD ><A HREF = "pair_born.html">born/coul/wolf/gpu</A></TD><TD ><A HREF = "pair_born.html">born/coul/wolf/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_born.html">born/gpu</A></TD><TD ><A HREF = "pair_born.html">born/omp</A></TD><TD ><A HREF = "pair_brownian.html">brownian/omp</A></TD><TD ><A HREF = "pair_brownian.html">brownian/poly/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/coul/cut/cuda</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/cut/gpu</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/cut/omp</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/long/cuda</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/coul/long/gpu</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/long/omp</A></TD><TD ><A HREF = "pair_buck.html">buck/cuda</A></TD><TD ><A HREF = "pair_buck_disp.html">buck/disp/coul/long/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/coul/long/gpu</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/long/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></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/gpu</A></TD><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></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_comb.html">comb/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/cut/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/debye/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/dsf/gpu</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_coul.html">coul/wolf</A></TD><TD ><A HREF = "pair_dipole.html">dipole/cut/gpu</A></TD></TR>
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@ -476,24 +476,24 @@ package</A>.
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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_charmm.html">lj/charmm/coul/long/proxy/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/opt</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/pppm/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/pppm/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/proxy/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/cuda</A></TD><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_disp.html">lj/disp/coul/long/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/cuda</A></TD><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></TR>
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<TR ALIGN="center"><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><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/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/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/proxy/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/long/tip4p/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/proxy/tip4p/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/tip4p/opt</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/pppm/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/pppm/tip4p/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/cuda</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></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/opt</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/omp</A></TD><TD ><A HREF = "pair_sdk.html">lj/sdk/gpu</A></TD><TD ><A HREF = "pair_sdk.html">lj/sdk/omp</A></TD><TD ><A HREF = "pair_sdk.html">lj/sdk/coul/long/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_sdk.html">lj/sdk/coul/long/omp</A></TD><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></TR>
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<TR ALIGN="center"><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><TD ><A HREF = "pair_lj96.html">lj96/cut/gpu</A></TD><TD ><A HREF = "pair_lj96.html">lj96/cut/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lubricate.html">lubricate/omp</A></TD><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_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_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/omp</A></TD><TD ><A HREF = "pair_sw.html">sw/cuda</A></TD><TD ><A HREF = "pair_sw.html">sw/omp</A></TD><TD ><A HREF = "pair_table.html">table/gpu</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_table.html">table/omp</A></TD><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.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_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></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_yukawa_colloid.html">yukawa/colloid/gpu</A></TD><TD ><A HREF = "pair_yukawa_colloid.html">yukawa/colloid/omp</A>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/pppm/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/cuda</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></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/opt</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.html">lj/cut/tip4p/long/proxy/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/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_sdk.html">lj/sdk/gpu</A></TD><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></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_morse.html">morse/cuda</A></TD><TD ><A HREF = "pair_morse.html">morse/gpu</A></TD></TR>
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<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_peri.html">peri/lps/omp</A></TD><TD ><A HREF = "pair_peri.html">peri/pmb/omp</A></TD></TR>
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<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/omp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_sw.html">sw/cuda</A></TD><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/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.html">tersoff/table/omp</A></TD><TD ><A HREF = "pair_tersoff_zbl.html">tersoff/zbl/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>
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</TD></TR></TABLE></DIV>
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<HR>
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@ -641,7 +641,7 @@ potentials. Click on the style itself for a full description:
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"buck"_pair_buck.html,
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"buck/coul/cut"_pair_buck.html,
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"buck/coul/long"_pair_buck.html,
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"buck/disp/coul/long"_pair_buck_disp.html,
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"buck/long/coul/long"_pair_buck_long.html,
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"colloid"_pair_colloid.html,
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"comb"_pair_comb.html,
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"coul/cut"_pair_coul.html,
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@ -678,9 +678,9 @@ potentials. Click on the style itself for a full description:
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"lj/cut/coul/debye"_pair_lj.html,
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"lj/cut/coul/dsf"_pair_lj.html,
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"lj/cut/coul/long"_pair_lj.html,
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"lj/cut/coul/long/tip4p"_pair_lj.html,
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"lj/disp/coul/long"_pair_lj_disp.html,
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"lj/disp/coul/long/tip4p"_pair_lj_disp.html,
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"lj/long/coul/long"_pair_lj_long.html,
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"lj/cut/tip4p/long"_pair_lj.html,
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"lj/long/tip4p/long"_pair_lj_long.html,
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"lj/expand"_pair_lj_expand.html,
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"lj/gromacs"_pair_gromacs.html,
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"lj/gromacs/coul/gromacs"_pair_gromacs.html,
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@ -754,7 +754,7 @@ package"_Section_accelerate.html.
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"buck/coul/long/gpu"_pair_buck.html,
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"buck/coul/long/omp"_pair_buck.html,
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"buck/cuda"_pair_buck.html,
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"buck/disp/coul/long/omp"_pair_buck_disp.html,
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"buck/long/coul/long/omp"_pair_buck_long.html,
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||||
"buck/gpu"_pair_buck.html,
|
||||
"buck/omp"_pair_buck.html,
|
||||
"colloid/gpu"_pair_colloid.html,
|
||||
|
|
@ -818,7 +818,7 @@ package"_Section_accelerate.html.
|
|||
"lj/class2/cuda"_pair_class2.html,
|
||||
"lj/class2/gpu"_pair_class2.html,
|
||||
"lj/class2/omp"_pair_class2.html,
|
||||
"lj/disp/coul/long/omp"_pair_lj_disp.html,
|
||||
"lj/long/coul/long/omp"_pair_lj_long.html,
|
||||
"lj/cut/coul/cut/cuda"_pair_lj.html,
|
||||
"lj/cut/coul/cut/gpu"_pair_lj.html,
|
||||
"lj/cut/coul/cut/omp"_pair_lj.html,
|
||||
|
|
@ -831,16 +831,15 @@ package"_Section_accelerate.html.
|
|||
"lj/cut/coul/long/omp"_pair_lj.html,
|
||||
"lj/cut/coul/long/proxy/omp"_pair_lj.html,
|
||||
"lj/cut/coul/long/opt"_pair_lj.html,
|
||||
"lj/cut/coul/long/tip4p/omp"_pair_lj.html,
|
||||
"lj/cut/coul/long/proxy/tip4p/omp"_pair_lj.html,
|
||||
"lj/cut/coul/long/tip4p/opt"_pair_lj.html,
|
||||
"lj/cut/coul/pppm/omp"_pair_lj.html,
|
||||
"lj/cut/coul/pppm/tip4p/omp"_pair_lj.html,
|
||||
"lj/cut/cuda"_pair_lj.html,
|
||||
"lj/cut/experimental/cuda"_pair_lj.html,
|
||||
"lj/cut/gpu"_pair_lj.html,
|
||||
"lj/cut/omp"_pair_lj.html,
|
||||
"lj/cut/opt"_pair_lj.html,
|
||||
"lj/cut/tip4p/long/omp"_pair_lj.html,
|
||||
"lj/cut/tip4p/long/opt"_pair_lj.html,
|
||||
"lj/cut/tip4p/long/proxy/omp"_pair_lj.html,
|
||||
"lj/expand/cuda"_pair_lj_expand.html,
|
||||
"lj/expand/gpu"_pair_lj_expand.html,
|
||||
"lj/expand/omp"_pair_lj_expand.html,
|
||||
|
|
|
|||
|
|
@ -53,19 +53,19 @@
|
|||
</H3>
|
||||
<H3>pair_style lj/cut/coul/long/proxy/omp command
|
||||
</H3>
|
||||
<H3>pair_style lj/cut/coul/long/tip4p command
|
||||
<H3>pair_style lj/cut/tip4p/long command
|
||||
</H3>
|
||||
<H3>pair_style lj/cut/coul/long/tip4p/omp command
|
||||
<H3>pair_style lj/cut/tip4p/long/omp command
|
||||
</H3>
|
||||
<H3>pair_style lj/cut/coul/long/proxy/tip4p/omp command
|
||||
<H3>pair_style lj/cut/tip4p/long/proxy/omp command
|
||||
</H3>
|
||||
<H3>pair_style lj/cut/coul/long/tip4p/opt command
|
||||
<H3>pair_style lj/cut/tip4p/long/opt command
|
||||
</H3>
|
||||
<P><B>Syntax:</B>
|
||||
</P>
|
||||
<PRE>pair_style style args
|
||||
</PRE>
|
||||
<UL><LI>style = <I>lj/cut</I> or <I>lj/cut/coul/cut</I> or <I>lj/cut/coul/debye</I> or <I>lj/cut/coul/dsf</I> or <I>lj/cut/coul/long</I> or <I>lj/cut/coul/long/tip4p</I>
|
||||
<UL><LI>style = <I>lj/cut</I> or <I>lj/cut/coul/cut</I> or <I>lj/cut/coul/debye</I> or <I>lj/cut/coul/dsf</I> or <I>lj/cut/coul/long</I> or <I>lj/cut/tip4p/long</I>
|
||||
<LI>args = list of arguments for a particular style
|
||||
</UL>
|
||||
<PRE> <I>lj/cut</I> args = cutoff
|
||||
|
|
@ -84,7 +84,7 @@
|
|||
<I>lj/cut/coul/long</I> args = cutoff (cutoff2)
|
||||
cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
|
||||
cutoff2 = global cutoff for Coulombic (optional) (distance units)
|
||||
<I>lj/cut/coul/long/tip4p</I> args = otype htype btype atype qdist cutoff (cutoff2)
|
||||
<I>lj/cut/tip4p/long</I> args = otype htype btype atype qdist cutoff (cutoff2)
|
||||
otype,htype = atom types for TIP4P O and H
|
||||
btype,atype = bond and angle types for TIP4P waters
|
||||
qdist = distance from O atom to massless charge (distance units)
|
||||
|
|
@ -118,8 +118,8 @@ pair_style lj/cut/coul/long 10.0 8.0
|
|||
pair_coeff * * 100.0 3.0
|
||||
pair_coeff 1 1 100.0 3.5 9.0
|
||||
</PRE>
|
||||
<PRE>pair_style lj/cut/coul/long/tip4p 1 2 7 8 0.15 12.0
|
||||
pair_style lj/cut/coul/long/tip4p 1 2 7 8 0.15 12.0 10.0
|
||||
<PRE>pair_style lj/cut/tip4p/long 1 2 7 8 0.15 12.0
|
||||
pair_style lj/cut/tip4p/long 1 2 7 8 0.15 12.0 10.0
|
||||
pair_coeff * * 100.0 3.0
|
||||
pair_coeff 1 1 100.0 3.5 9.0
|
||||
</PRE>
|
||||
|
|
@ -176,7 +176,7 @@ option. The Coulombic cutoff specified for this style means that
|
|||
pairwise interactions within this distance are computed directly;
|
||||
interactions outside that distance are computed in reciprocal space.
|
||||
</P>
|
||||
<P>Style <I>lj/cut/coul/long/tip4p</I> implements the TIP4P water model of
|
||||
<P>Style <I>lj/cut/tip4p/long</I> implements the TIP4P water model of
|
||||
<A HREF = "#Jorgensen">(Jorgensen)</A>, which introduces a massless site located a
|
||||
short distance away from the oxygen atom along the bisector of the HOH
|
||||
angle. The atomic types of the oxygen and hydrogen atoms, the bond
|
||||
|
|
@ -222,15 +222,14 @@ are specified, they are used as the LJ and Coulombic cutoffs for this
|
|||
type pair. You cannot specify 2 cutoffs for style <I>lj/cut</I>, since it
|
||||
has no Coulombic terms.
|
||||
</P>
|
||||
<P>For <I>lj/cut/coul/long</I> and <I>lj/cut/coul/long/tip4p</I> only the LJ cutoff
|
||||
<P>For <I>lj/cut/coul/long</I> and <I>lj/cut/tip4p/long</I> only the LJ cutoff
|
||||
can be specified since a Coulombic cutoff cannot be specified for an
|
||||
individual I,J type pair. All type pairs use the same global
|
||||
Coulombic cutoff specified in the pair_style command.
|
||||
</P>
|
||||
<P>Styles <I>lj/cut/coul/long/proxy/omp</I> and
|
||||
<I>lj/cut/coul/long/proxy/tip4p/omp</I> are variants of
|
||||
<I>lj/cut/coul/long/omp</I> and <I>lj/cut/coul/long/tip4p/omp</I> for use with
|
||||
k-space styles <A HREF = "kspace_style.html"><I>pppm/proxy</I></A> and
|
||||
<P>Styles <I>lj/cut/coul/long/proxy/omp</I> and <I>lj/cut/tip4p/long/proxy/omp</I>
|
||||
are variants of <I>lj/cut/coul/long/omp</I> and <I>lj/cut/tip4p/long/omp</I> for
|
||||
use with k-space styles <A HREF = "kspace_style.html"><I>pppm/proxy</I></A> and
|
||||
<A HREF = "kspace_style.html"><I>pppm/tip4p/proxy</I></A>, respectively and OpenMP
|
||||
multi-threading and will perform the corresponding reciprocal space
|
||||
calculation concurrently with the pair calculation in a separate
|
||||
|
|
@ -273,10 +272,9 @@ for details.
|
|||
<A HREF = "pair_modify.html">pair_modify</A> shift option for the energy of the
|
||||
Lennard-Jones portion of the pair interaction.
|
||||
</P>
|
||||
<P>The <I>lj/cut/coul/long</I> and <I>lj/cut/coul/long/tip4p</I> pair styles
|
||||
support the <A HREF = "pair_modify.html">pair_modify</A> table option since they can
|
||||
tabulate the short-range portion of the long-range Coulombic
|
||||
interaction.
|
||||
<P>The <I>lj/cut/coul/long</I> and <I>lj/cut/tip4p/long</I> pair styles support the
|
||||
<A HREF = "pair_modify.html">pair_modify</A> table option since they can tabulate
|
||||
the short-range portion of the long-range Coulombic interaction.
|
||||
</P>
|
||||
<P>All of the lj/cut pair styles support the
|
||||
<A HREF = "pair_modify.html">pair_modify</A> tail option for adding a long-range
|
||||
|
|
@ -298,11 +296,10 @@ See the <A HREF = "run_style.html">run_style</A> command for details.
|
|||
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>The <I>lj/cut/coul/long</I> and <I>lj/cut/coul/long/tip4p</I> styles are part of
|
||||
the KSPACE package. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info. Note that the KSPACE package is installed by
|
||||
default.
|
||||
<P>The <I>lj/cut/coul/long</I> and <I>lj/cut/tip4p/long</I> styles are part of the
|
||||
KSPACE package. They are only enabled if LAMMPS was built with those
|
||||
packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> section
|
||||
for more info. Note that the KSPACE package is installed by default.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -28,16 +28,16 @@ pair_style lj/cut/coul/long/gpu command :h3
|
|||
pair_style lj/cut/coul/long/opt command :h3
|
||||
pair_style lj/cut/coul/long/omp command :h3
|
||||
pair_style lj/cut/coul/long/proxy/omp command :h3
|
||||
pair_style lj/cut/coul/long/tip4p command :h3
|
||||
pair_style lj/cut/coul/long/tip4p/omp command :h3
|
||||
pair_style lj/cut/coul/long/proxy/tip4p/omp command :h3
|
||||
pair_style lj/cut/coul/long/tip4p/opt command :h3
|
||||
pair_style lj/cut/tip4p/long command :h3
|
||||
pair_style lj/cut/tip4p/long/omp command :h3
|
||||
pair_style lj/cut/tip4p/long/proxy/omp command :h3
|
||||
pair_style lj/cut/tip4p/long/opt command :h3
|
||||
|
||||
[Syntax:]
|
||||
|
||||
pair_style style args :pre
|
||||
|
||||
style = {lj/cut} or {lj/cut/coul/cut} or {lj/cut/coul/debye} or {lj/cut/coul/dsf} or {lj/cut/coul/long} or {lj/cut/coul/long/tip4p}
|
||||
style = {lj/cut} or {lj/cut/coul/cut} or {lj/cut/coul/debye} or {lj/cut/coul/dsf} or {lj/cut/coul/long} or {lj/cut/tip4p/long}
|
||||
args = list of arguments for a particular style :ul
|
||||
{lj/cut} args = cutoff
|
||||
cutoff = global cutoff for Lennard Jones interactions (distance units)
|
||||
|
|
@ -55,7 +55,7 @@ args = list of arguments for a particular style :ul
|
|||
{lj/cut/coul/long} args = cutoff (cutoff2)
|
||||
cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
|
||||
cutoff2 = global cutoff for Coulombic (optional) (distance units)
|
||||
{lj/cut/coul/long/tip4p} args = otype htype btype atype qdist cutoff (cutoff2)
|
||||
{lj/cut/tip4p/long} args = otype htype btype atype qdist cutoff (cutoff2)
|
||||
otype,htype = atom types for TIP4P O and H
|
||||
btype,atype = bond and angle types for TIP4P waters
|
||||
qdist = distance from O atom to massless charge (distance units)
|
||||
|
|
@ -89,8 +89,8 @@ pair_style lj/cut/coul/long 10.0 8.0
|
|||
pair_coeff * * 100.0 3.0
|
||||
pair_coeff 1 1 100.0 3.5 9.0 :pre
|
||||
|
||||
pair_style lj/cut/coul/long/tip4p 1 2 7 8 0.15 12.0
|
||||
pair_style lj/cut/coul/long/tip4p 1 2 7 8 0.15 12.0 10.0
|
||||
pair_style lj/cut/tip4p/long 1 2 7 8 0.15 12.0
|
||||
pair_style lj/cut/tip4p/long 1 2 7 8 0.15 12.0 10.0
|
||||
pair_coeff * * 100.0 3.0
|
||||
pair_coeff 1 1 100.0 3.5 9.0 :pre
|
||||
|
||||
|
|
@ -147,7 +147,7 @@ option. The Coulombic cutoff specified for this style means that
|
|||
pairwise interactions within this distance are computed directly;
|
||||
interactions outside that distance are computed in reciprocal space.
|
||||
|
||||
Style {lj/cut/coul/long/tip4p} implements the TIP4P water model of
|
||||
Style {lj/cut/tip4p/long} implements the TIP4P water model of
|
||||
"(Jorgensen)"_#Jorgensen, which introduces a massless site located a
|
||||
short distance away from the oxygen atom along the bisector of the HOH
|
||||
angle. The atomic types of the oxygen and hydrogen atoms, the bond
|
||||
|
|
@ -193,15 +193,14 @@ are specified, they are used as the LJ and Coulombic cutoffs for this
|
|||
type pair. You cannot specify 2 cutoffs for style {lj/cut}, since it
|
||||
has no Coulombic terms.
|
||||
|
||||
For {lj/cut/coul/long} and {lj/cut/coul/long/tip4p} only the LJ cutoff
|
||||
For {lj/cut/coul/long} and {lj/cut/tip4p/long} only the LJ cutoff
|
||||
can be specified since a Coulombic cutoff cannot be specified for an
|
||||
individual I,J type pair. All type pairs use the same global
|
||||
Coulombic cutoff specified in the pair_style command.
|
||||
|
||||
Styles {lj/cut/coul/long/proxy/omp} and
|
||||
{lj/cut/coul/long/proxy/tip4p/omp} are variants of
|
||||
{lj/cut/coul/long/omp} and {lj/cut/coul/long/tip4p/omp} for use with
|
||||
k-space styles "{pppm/proxy}"_kspace_style.html and
|
||||
Styles {lj/cut/coul/long/proxy/omp} and {lj/cut/tip4p/long/proxy/omp}
|
||||
are variants of {lj/cut/coul/long/omp} and {lj/cut/tip4p/long/omp} for
|
||||
use with k-space styles "{pppm/proxy}"_kspace_style.html and
|
||||
"{pppm/tip4p/proxy}"_kspace_style.html, respectively and OpenMP
|
||||
multi-threading and will perform the corresponding reciprocal space
|
||||
calculation concurrently with the pair calculation in a separate
|
||||
|
|
@ -244,10 +243,9 @@ All of the lj/cut pair styles support the
|
|||
"pair_modify"_pair_modify.html shift option for the energy of the
|
||||
Lennard-Jones portion of the pair interaction.
|
||||
|
||||
The {lj/cut/coul/long} and {lj/cut/coul/long/tip4p} pair styles
|
||||
support the "pair_modify"_pair_modify.html table option since they can
|
||||
tabulate the short-range portion of the long-range Coulombic
|
||||
interaction.
|
||||
The {lj/cut/coul/long} and {lj/cut/tip4p/long} pair styles support the
|
||||
"pair_modify"_pair_modify.html table option since they can tabulate
|
||||
the short-range portion of the long-range Coulombic interaction.
|
||||
|
||||
All of the lj/cut pair styles support the
|
||||
"pair_modify"_pair_modify.html tail option for adding a long-range
|
||||
|
|
@ -269,11 +267,10 @@ See the "run_style"_run_style.html command for details.
|
|||
|
||||
[Restrictions:]
|
||||
|
||||
The {lj/cut/coul/long} and {lj/cut/coul/long/tip4p} styles are part of
|
||||
the KSPACE package. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info. Note that the KSPACE package is installed by
|
||||
default.
|
||||
The {lj/cut/coul/long} and {lj/cut/tip4p/long} styles are part of the
|
||||
KSPACE package. They are only enabled if LAMMPS was built with those
|
||||
packages. See the "Making LAMMPS"_Section_start.html#start_3 section
|
||||
for more info. Note that the KSPACE package is installed by default.
|
||||
|
||||
[Related commands:]
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue