OpenMD
3.2
Molecular Dynamics in the Open
Toggle main menu visibility
Loading...
Searching...
No Matches
Constraint.cpp
1
/* -*- mode: c++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- */
2
3
/*
4
Copyright (C) 2001, 2002, 2003 Sadruddin Rejeb
5
6
This file is part of QuantLib, a free-software/open-source library
7
for financial quantitative analysts and developers - http://quantlib.org/
8
9
QuantLib is free software: you can redistribute it and/or modify it
10
under the terms of the QuantLib license. You should have received a
11
copy of the license along with this program; if not, please email
12
<quantlib-dev@lists.sf.net>. The license is also available online at
13
<http://quantlib.org/license.shtml>.
14
15
This program is distributed in the hope that it will be useful, but WITHOUT
16
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
17
FOR A PARTICULAR PURPOSE. See the license for more details.
18
*/
19
20
#include "
optimization/Constraint.hpp
"
21
22
#include <cstdio>
23
24
#include "utils/simError.h"
25
26
namespace
QuantLib {
27
28
Constraint::Constraint(
Constraint::Impl
* impl) : impl_(impl) {}
29
30
RealType Constraint::update(
DynamicVector<RealType>
& params,
31
const
DynamicVector<RealType>
& direction,
32
RealType beta) {
33
RealType diff = beta;
34
DynamicVector<RealType>
newParams = params + diff * direction;
35
bool
valid = test(newParams);
36
int
icount = 0;
37
while
(!valid) {
38
if
(icount > 200) {
39
snprintf(painCave.errMsg, MAX_SIM_ERROR_MSG_LENGTH,
40
"can't update parameter vector\n"
);
41
painCave.isFatal = 1;
42
painCave.severity = OPENMD_ERROR;
43
simError();
44
}
45
diff *= 0.5;
46
icount++;
47
newParams = params + diff * direction;
48
valid = test(newParams);
49
}
50
params += diff * direction;
51
return
diff;
52
}
53
54
}
// namespace QuantLib
Constraint.hpp
Abstract constraint class.
OpenMD::DynamicVector
Dynamically-sized vector class.
Definition
DynamicVector.hpp:74
QuantLib::Constraint::Impl
Base class for constraint implementations.
Definition
Constraint.hpp:38
optimization
Constraint.cpp
Generated on
for OpenMD by
1.17.0