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Martin Kurečka
Plumed AlphaFold
Commits
55370d97
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Commit
55370d97
authored
10 years ago
by
Giovanni Bussi
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Fixed uninitialized value
parent
ee7dd994
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src/tools/BiasRepresentation.cpp
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src/tools/BiasRepresentation.cpp
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55370d97
...
...
@@ -28,6 +28,7 @@ namespace PLMD {
/// the constructor here
BiasRepresentation
::
BiasRepresentation
(
vector
<
Value
*>
tmpvalues
,
Communicator
&
cc
)
:
hasgrid
(
false
),
mycomm
(
cc
){
doInt_
=
false
;
ndim
=
tmpvalues
.
size
();
for
(
int
i
=
0
;
i
<
ndim
;
i
++
){
values
.
push_back
(
tmpvalues
[
i
]);
...
...
@@ -36,6 +37,7 @@ BiasRepresentation::BiasRepresentation(vector<Value*> tmpvalues, Communicator &c
}
/// overload the constructor: add the sigma at constructor time
BiasRepresentation
::
BiasRepresentation
(
vector
<
Value
*>
tmpvalues
,
Communicator
&
cc
,
vector
<
double
>
sigma
)
:
hasgrid
(
false
),
histosigma
(
sigma
),
mycomm
(
cc
){
doInt_
=
false
;
ndim
=
tmpvalues
.
size
();
for
(
int
i
=
0
;
i
<
ndim
;
i
++
){
values
.
push_back
(
tmpvalues
[
i
]);
...
...
@@ -58,6 +60,7 @@ BiasRepresentation::BiasRepresentation(vector<Value*> tmpvalues, Communicator &c
}
/// overload the constructor with some external sigmas: needed for histogram
BiasRepresentation
::
BiasRepresentation
(
vector
<
Value
*>
tmpvalues
,
Communicator
&
cc
,
vector
<
string
>
gmin
,
vector
<
string
>
gmax
,
vector
<
unsigned
>
nbin
,
vector
<
double
>
sigma
)
:
hasgrid
(
false
),
rescaledToBias
(
false
),
histosigma
(
sigma
),
mycomm
(
cc
){
doInt_
=
false
;
ndim
=
tmpvalues
.
size
();
for
(
int
i
=
0
;
i
<
ndim
;
i
++
){
values
.
push_back
(
tmpvalues
[
i
]);
...
...
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