1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
|
/////////////////////////////////////////////////////////////
// //
// Copyright (c) 2003-2014 by The University of Queensland //
// Centre for Geoscience Computing //
// http://earth.uq.edu.au/centre-geoscience-computing //
// //
// Primary Business: Brisbane, Queensland, Australia //
// Licensed under the Open Software License version 3.0 //
// http://www.apache.org/licenses/LICENSE-2.0 //
// //
/////////////////////////////////////////////////////////////
#include <mpi.h>
#include "Model/ShortBondedInteractionCpData.h"
#include "Model/ShortBondedInteraction.h"
// --- STL includes ---
#include <utility>
using std::pair;
/*!
default constructor
*/
ShortBondedInteractionCpData::ShortBondedInteractionCpData()
{}
/*!
constructor
\param p1id id of the 1st particle
\param p2id id of the 2nd particle
\param itag interaction tag
\param r0 equilibrium distance
*/
ShortBondedInteractionCpData::ShortBondedInteractionCpData(int p1id,int p2id,int itag,double r0)
: BondedInteractionCpData(p1id,p2id,itag)
{
m_r0=r0;
}
/*!
construct directly from CShortBondedInteraction
\param SBI the interaction
*/
ShortBondedInteractionCpData::ShortBondedInteractionCpData(const CShortBondedInteraction &SBI)
{
pair<int,int> pids=SBI.getPairID();
int itag=SBI.getTag();
double r0=SBI.getEquiDist();
set(pids.first,pids.second,itag); // base
m_r0=r0;
}
/*!
write data to output stream
\param ost the output stream
*/
void ShortBondedInteractionCpData::saveCheckPointData(ostream& ost)
{
const char delim = ' ';
BondedInteractionCpData::saveCheckPointData(ost);
ost << delim << m_r0;
}
/*!
read data from input stream
\warning not implemented
*/
void ShortBondedInteractionCpData::loadCheckPointData(istream&)
{}
|
