Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F91008554
pair_eam_alloy.h
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Wed, Nov 6, 21:33
Size
1 KB
Mime Type
text/x-c
Expires
Fri, Nov 8, 21:33 (2 d)
Engine
blob
Format
Raw Data
Handle
22177466
Attached To
rLAMMPS lammps
pair_eam_alloy.h
View Options
/* ----------------------------------------------------------------------
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(eam/alloy,PairEAMAlloy)
#else
#ifndef LMP_PAIR_EAM_ALLOY_H
#define LMP_PAIR_EAM_ALLOY_H
#include "pair_eam.h"
namespace LAMMPS_NS {
// need virtual public b/c of how eam/alloy/opt inherits from it
class PairEAMAlloy : virtual public PairEAM {
public:
PairEAMAlloy(class LAMMPS *);
virtual ~PairEAMAlloy() {}
void coeff(int, char **);
protected:
void read_file(char *);
void file2array();
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
E: No matching element in EAM potential file
The EAM potential file does not contain elements that match the
requested elements.
E: Cannot open EAM potential file %s
The specified EAM potential file cannot be opened. Check that the
path and name are correct.
E: Incorrect element names in EAM potential file
The element names in the EAM file do not match those requested.
*/
Event Timeline
Log In to Comment