From 43e3c1520b21578be3501bf6a168f552ed58af56 Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Fri, 14 Jun 2019 11:50:56 +0200 Subject: [PATCH] cleaning pair_lj_class2.h of windows line endings removing DOS/Windows style CR/LF line endings --- src/CLASS2/pair_lj_class2.h | 145 ++++++++++++++++++------------------ 1 file changed, 73 insertions(+), 72 deletions(-) diff --git a/src/CLASS2/pair_lj_class2.h b/src/CLASS2/pair_lj_class2.h index 47610c0d06..5bb2a1f0d9 100644 --- a/src/CLASS2/pair_lj_class2.h +++ b/src/CLASS2/pair_lj_class2.h @@ -1,72 +1,73 @@ -/* -*- 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. -------------------------------------------------------------------------- */ - -#ifdef PAIR_CLASS - -PairStyle(lj/class2,PairLJClass2) - -#else - -#ifndef LMP_PAIR_LJ_CLASS2_H -#define LMP_PAIR_LJ_CLASS2_H - -#include "pair.h" - -namespace LAMMPS_NS { - -class PairLJClass2 : public Pair { - public: - PairLJClass2(class LAMMPS *); - virtual ~PairLJClass2(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); - - void compute_inner(); - void compute_middle(); - void compute_outer(int, int); - - protected: - double cut_global; - double **cut; - double **epsilon,**sigma; - double **lj1,**lj2,**lj3,**lj4,**offset; - double *cut_respa; - - virtual void allocate(); -}; - -} - -#endif -#endif - -/* ERROR/WARNING messages: -E: Illegal ... command -Self-explanatory. Check the input script syntax and compare to the -documentation for the command. You can use -echo screen as a -command-line option when running LAMMPS to see the offending line. -E: Incorrect args for pair coefficients -Self-explanatory. Check the input script or data file. -E: Pair cutoff < Respa interior cutoff -One or more pairwise cutoffs are too short to use with the specified -rRESPA cutoffs. -*/ \ No newline at end of file +/* -*- 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. +------------------------------------------------------------------------- */ + +#ifdef PAIR_CLASS + +PairStyle(lj/class2,PairLJClass2) + +#else + +#ifndef LMP_PAIR_LJ_CLASS2_H +#define LMP_PAIR_LJ_CLASS2_H + +#include "pair.h" + +namespace LAMMPS_NS { + +class PairLJClass2 : public Pair { + public: + PairLJClass2(class LAMMPS *); + virtual ~PairLJClass2(); + virtual void compute(int, int); + virtual void settings(int, char **); + void coeff(int, char **); + void init_style(); + virtual double init_one(int, int); + void write_restart(FILE *); + void read_restart(FILE *); + void write_restart_settings(FILE *); + void read_restart_settings(FILE *); + void write_data(FILE *); + void write_data_all(FILE *); + double single(int, int, int, int, double, double, double, double &); + void *extract(const char *, int &); + + void compute_inner(); + void compute_middle(); + void compute_outer(int, int); + + protected: + double cut_global; + double **cut; + double **epsilon,**sigma; + double **lj1,**lj2,**lj3,**lj4,**offset; + double *cut_respa; + + virtual void allocate(); +}; + +} + +#endif +#endif + +/* ERROR/WARNING messages: +E: Illegal ... command +Self-explanatory. Check the input script syntax and compare to the +documentation for the command. You can use -echo screen as a +command-line option when running LAMMPS to see the offending line. +E: Incorrect args for pair coefficients +Self-explanatory. Check the input script or data file. +E: Pair cutoff < Respa interior cutoff +One or more pairwise cutoffs are too short to use with the specified +rRESPA cutoffs. +*/ +