Loading doc/src/Manual.txt +2 −1 Original line number Diff line number Diff line Loading @@ -47,7 +47,8 @@ it to be part of every patch. :l There is also a "Developer.pdf"_Developer.pdf file in the doc directory, which describes the internal structure and algorithms of LAMMPS. :ule,l LAMMPS. :l :ule LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator. Loading doc/src/Section_accelerate.txt +3 −2 Original line number Diff line number Diff line Loading @@ -28,8 +28,9 @@ multi-core CPUs, GPUs, and Intel Xeon Phi coprocessors. 5.3.2 "USER-INTEL package"_accelerate_intel.html :l 5.3.3 "KOKKOS package"_accelerate_kokkos.html :l 5.3.4 "USER-OMP package"_accelerate_omp.html :l 5.3.5 "OPT package"_accelerate_opt.html :l,ule 5.4 "Comparison of various accelerator packages"_#acc_4 :l,ule 5.3.5 "OPT package"_accelerate_opt.html :l 5.4 "Comparison of various accelerator packages"_#acc_4 :l :ule The "Benchmark page"_http://lammps.sandia.gov/bench.html of the LAMMPS web site gives performance results for the various accelerator Loading doc/src/Section_intro.txt +2 −1 Original line number Diff line number Diff line Loading @@ -460,7 +460,8 @@ Site"_lws. It might be added to the page. No promises. :l Cash. Small denominations, unmarked bills preferred. Paper sack OK. Leave on desk. VISA also accepted. Chocolate chip cookies encouraged. :ule,l encouraged. :l :ule :line Loading doc/src/Section_perf.txt +2 −1 Original line number Diff line number Diff line Loading @@ -36,7 +36,8 @@ sigma cutoff (7 neighbors per atom), NVE integration :l Rhodo = rhodopsin protein in solvated lipid bilayer, CHARMM force field with a 10 Angstrom LJ cutoff (440 neighbors per atom), particle-particle particle-mesh (PPPM) for long-range Coulombics, NPT integration :ole,l integration :l :ole Input files for these 5 problems are provided in the bench directory of the LAMMPS distribution. Each has 32,000 atoms and runs for 100 Loading doc/src/dihedral_harmonic.txt +2 −1 Original line number Diff line number Diff line Loading @@ -45,7 +45,8 @@ in some force fields trans = 0 degrees. :ulb,l Some force fields reverse the sign convention on {d}. :l Some force fields let {n} be positive or negative which corresponds to {d} = 1 or -1 for the harmonic style. :ule,l {d} = 1 or -1 for the harmonic style. :l :ule :line Loading Loading
doc/src/Manual.txt +2 −1 Original line number Diff line number Diff line Loading @@ -47,7 +47,8 @@ it to be part of every patch. :l There is also a "Developer.pdf"_Developer.pdf file in the doc directory, which describes the internal structure and algorithms of LAMMPS. :ule,l LAMMPS. :l :ule LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator. Loading
doc/src/Section_accelerate.txt +3 −2 Original line number Diff line number Diff line Loading @@ -28,8 +28,9 @@ multi-core CPUs, GPUs, and Intel Xeon Phi coprocessors. 5.3.2 "USER-INTEL package"_accelerate_intel.html :l 5.3.3 "KOKKOS package"_accelerate_kokkos.html :l 5.3.4 "USER-OMP package"_accelerate_omp.html :l 5.3.5 "OPT package"_accelerate_opt.html :l,ule 5.4 "Comparison of various accelerator packages"_#acc_4 :l,ule 5.3.5 "OPT package"_accelerate_opt.html :l 5.4 "Comparison of various accelerator packages"_#acc_4 :l :ule The "Benchmark page"_http://lammps.sandia.gov/bench.html of the LAMMPS web site gives performance results for the various accelerator Loading
doc/src/Section_intro.txt +2 −1 Original line number Diff line number Diff line Loading @@ -460,7 +460,8 @@ Site"_lws. It might be added to the page. No promises. :l Cash. Small denominations, unmarked bills preferred. Paper sack OK. Leave on desk. VISA also accepted. Chocolate chip cookies encouraged. :ule,l encouraged. :l :ule :line Loading
doc/src/Section_perf.txt +2 −1 Original line number Diff line number Diff line Loading @@ -36,7 +36,8 @@ sigma cutoff (7 neighbors per atom), NVE integration :l Rhodo = rhodopsin protein in solvated lipid bilayer, CHARMM force field with a 10 Angstrom LJ cutoff (440 neighbors per atom), particle-particle particle-mesh (PPPM) for long-range Coulombics, NPT integration :ole,l integration :l :ole Input files for these 5 problems are provided in the bench directory of the LAMMPS distribution. Each has 32,000 atoms and runs for 100 Loading
doc/src/dihedral_harmonic.txt +2 −1 Original line number Diff line number Diff line Loading @@ -45,7 +45,8 @@ in some force fields trans = 0 degrees. :ulb,l Some force fields reverse the sign convention on {d}. :l Some force fields let {n} be positive or negative which corresponds to {d} = 1 or -1 for the harmonic style. :ule,l {d} = 1 or -1 for the harmonic style. :l :ule :line Loading
