lammps-sys 0.6.0

Generates bindings to LAMMPS' C interface (with optional builds from source)
Documentation 
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/* -*- c++ -*- ----------------------------------------------------------
   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
   http://lammps.sandia.gov, Sandia National Laboratories
   Steve Plimpton, sjplimp@sandia.gov

   Copyright (2003) Sandia Corporation.  Under the terms of Contract
   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
   certain rights in this software.  This software is distributed under
   the GNU General Public License.

   See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */

/* ----------------------------------------------------------------------
   Common data for the Shinoda, DeVane, Klein (SDK) coarse grain model
   Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */

#ifndef LMP_LJ_SDK_COMMON_H
#define LMP_LJ_SDK_COMMON_H

#include <cstring>

namespace LAMMPS_NS {
namespace LJSDKParms {

  // LJ type flags. list of supported LJ exponent combinations
  enum {LJ_NOT_SET=0, LJ9_6, LJ12_4, LJ12_6, NUM_LJ_TYPES};

#if defined(LMP_NEED_SDK_FIND_LJ_TYPE)
  static int find_lj_type(const char *label,
                          const char * const * const list) {
    for (int i=0; i < NUM_LJ_TYPES; ++i)
      if (strcmp(label,list[i]) == 0) return i;

    return LJ_NOT_SET;
  }
#endif

  static const char * const lj_type_list[] = {"none", "lj9_6", "lj12_4", "lj12_6"};
  static const double lj_prefact[] = {0.0, 6.75,  2.59807621135332, 4.0};
  static const double lj_pow1[]    = {0.0, 9.00, 12.0,             12.0};
  static const double lj_pow2[]    = {0.0, 6.00,  4.0,              6.0};
}}
#endif