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Martin Kurečka
Plumed AlphaFold
Commits
5e885095
There was an error fetching the commit references. Please try again later.
Commit
5e885095
authored
7 years ago
by
Giovanni Bussi
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Merge branch 'v2.3' into v2.4
parents
a4970760
5559b6b9
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Changes
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3 changed files
CHANGES/v2.3.md
+6
-11
6 additions, 11 deletions
CHANGES/v2.3.md
CHANGES/v2.4.md
+2
-4
2 additions, 4 deletions
CHANGES/v2.4.md
release.sh
+6
-6
6 additions, 6 deletions
release.sh
with
14 additions
and
21 deletions
CHANGES/v2.3.md
+
6
−
11
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5e885095
@page CHANGES-2-3 Version 2.3
@page CHANGES-2-3 Version 2.3
Version 2.3 (Dec 12, 2016)
## Version 2.3 (Dec 12, 2016)
----------------------------
Version
Version 2.3 contains several improvements with respect to 2.2. Users currently working with 2.2
2.
3 contains several improvements with respect to 2.2. Users currently working with 2.2
should have a look at the section "Changes leading to incompatible behavior" below and
should have a look at the section "Changes leading to incompatible behavior" below and
might need tiny adjustments in their input files.
might need tiny adjustments in their input files.
...
@@ -127,8 +125,7 @@ For developers:
...
@@ -127,8 +125,7 @@ For developers:
are now passed by const ref) and false positives marked as such.
are now passed by const ref) and false positives marked as such.
-
Added coverage scan.
-
Added coverage scan.
Version 2.3.1 (Mar 31, 2017)
## Version 2.3.1 (Mar 31, 2017)
-------------
-
Fix to FIT_TO_TEMPLATE as in 2.2.5. Notice that in 2.3.0 also the case with TYPE=OPTIMAL was affected. This is fixed now.
-
Fix to FIT_TO_TEMPLATE as in 2.2.5. Notice that in 2.3.0 also the case with TYPE=OPTIMAL was affected. This is fixed now.
-
small change in
\r
ef CS2BACKBONE to symmetrise the ring current contribution with respect to ring rotations (also faster)
-
small change in
\r
ef CS2BACKBONE to symmetrise the ring current contribution with respect to ring rotations (also faster)
...
@@ -141,8 +138,8 @@ For developers:
...
@@ -141,8 +138,8 @@ For developers:
-
Cppcheck on travis-ci has been updated to 1.77.
-
Cppcheck on travis-ci has been updated to 1.77.
-
Doxygen on travis-ci has been updated to 1.8.13
-
Doxygen on travis-ci has been updated to 1.8.13
Version 2.3.2 (Jun 12, 2017)
##
Version 2.3.2 (Jun 12, 2017)
-------------
See branch
\b
ranch{v2.3} on git repository.
See branch
\b
ranch{v2.3} on git repository.
-
Resolved problem with nan in
\r
ef SMAC with SPECIESA and SPECIESB involving molecules that are the same
-
Resolved problem with nan in
\r
ef SMAC with SPECIESA and SPECIESB involving molecules that are the same
...
@@ -186,9 +183,7 @@ For developers:
...
@@ -186,9 +183,7 @@ For developers:
-
On travis-ci, docs for unofficial or unsupported branches are set not to be indexed by search engines (see
\i
ssue{239})
-
On travis-ci, docs for unofficial or unsupported branches are set not to be indexed by search engines (see
\i
ssue{239})
-
Cppcheck on travis-ci has been updated to 1.79.
-
Cppcheck on travis-ci has been updated to 1.79.
Version 2.3.3
## Version 2.3.3
-------------
See branch
\b
ranch{v2.3} on git repository.
For users:
For users:
-
Fixed a bug in
\r
ef switchingfunction MATHEVAL, leading to inconsistent results when using OpenMP with multiple threads (see
\i
ssue{249}).
-
Fixed a bug in
\r
ef switchingfunction MATHEVAL, leading to inconsistent results when using OpenMP with multiple threads (see
\i
ssue{249}).
...
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CHANGES/v2.4.md
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5e885095
@page CHANGES-2-4 Version 2.4
@page CHANGES-2-4 Version 2.4
Version 2.4 (coming soon)
## Version 2.4 (coming soon)
----------------------------
Version
Version 2.4 contains several improvements with respect to 2.3. Users currently working with 2.3
2.
4 contains several improvements with respect to 2.3. Users currently working with 2.3
should have a look at the section "Changes leading to incompatible behavior" below and
should have a look at the section "Changes leading to incompatible behavior" below and
might need tiny adjustments in their input files.
might need tiny adjustments in their input files.
Notice that version 2.4 includes already all the fixes in branch 2.3 up to 2.3.2 indicated in
\r
ef CHANGES-2-3 .
Notice that version 2.4 includes already all the fixes in branch 2.3 up to 2.3.2 indicated in
\r
ef CHANGES-2-3 .
...
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release.sh
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5e885095
...
@@ -20,14 +20,14 @@ confirm () {
...
@@ -20,14 +20,14 @@ confirm () {
update_changelog
()
{
update_changelog
()
{
echo
$1
$2
$3
echo
$1
$2
$3
awk
-v
version
=
"
$2
"
-v
shortversion
=
"
$3
"
-v
date
=
"
$4
"
'{
awk
-v
version
=
"
$2
"
-v
shortversion
=
"
$3
"
-v
date
=
"
$4
"
'{
if(version == shortversion ".0" && $1=="Version" && $
2
==shortversion){
if(version == shortversion ".0" && $1=="
##" && $2=="
Version" && $
3
==shortversion){
print "Version " shortversion " (" date ")"
print "
##
Version " shortversion " (" date ")"
done=1
done=1
} else if($1=="Version" && $
2
==version){
} else if($1=="
##" && $2=="
Version" && $
3
==version){
print "Version " version " (" date ")"
print "
##
Version " version " (" date ")"
done=1
done=1
} else if(!done && $1=="Unreleased" && $
2
=="changes"){
} else if(!done && $1=="
##" && $2=="
Unreleased" && $
3
=="changes"){
print "Version " version " (" date ")"
print "
##
Version " version " (" date ")"
} else print
} else print
}'
$1
>
$1
.tmp
}'
$1
>
$1
.tmp
mv
$1
.tmp
$1
mv
$1
.tmp
$1
...
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