Searched refs:dihedral_style (Results 26 – 50 of 287) sorted by relevance
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118 command("dihedral_style " + cfg.dihedral_style); in init_lammps()162 command("dihedral_style " + cfg.dihedral_style); in restart_lammps()165 if ((cfg.dihedral_style.substr(0, 6) == "hybrid") || !lmp->force->dihedral->writedata) { in restart_lammps()198 command("variable dihedral_style index '" + cfg.dihedral_style + "'"); in data_lammps()202 if (cfg.dihedral_style == "charmm") { in data_lammps()205 } else if (cfg.dihedral_style == "charmmfsw") { in data_lammps()250 writer.emit("dihedral_style", config.dihedral_style); in generate_yaml_file()636 if (test_config.dihedral_style.substr(0, 6) != "hybrid") in TEST()703 if (test_config.dihedral_style.substr(0, 6) != "hybrid") in TEST()
31 * :doc:`dihedral_style <dihedral_charmm>` charmmfsh32 * :doc:`dihedral_style <dihedral_charmm>` charmm67 * :doc:`dihedral_style <dihedral_class2>` class299 * :doc:`dihedral_style <dihedral_charmm>` charmm
65 dihedral_style = utils::strdup("none"); in Force()139 delete [] dihedral_style; in ~Force()502 delete [] dihedral_style; in create_dihedral()507 store_style(dihedral_style,style,sflag); in create_dihedral()564 if (style == dihedral_style) return dihedral; in dihedral_match()565 else if (utils::strmatch(dihedral_style,"^hybrid")) { in dihedral_match()
33 std::string my_style = force->dihedral_style; in settings()
7 dihedral_style opls
7 dihedral_style harmonic
7 dihedral_style class2
8 dihedral_style harmonic