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Wrong logic was used
2020-09-21
Paul Ba
u
e
r
Fix
s
cript b
u
i
l
ding
a
l
l
CI conta
i
ners a
n
d add gcovr
commit
|
commitdiff
|
tree
2020-09-21
Pa
u
l Bauer
Add Op
e
nSSH to docs
b
uild image
s
commit
|
commitdiff
|
tree
2020-09-15
Pau
l
Bauer
Break o
f
f some tests from
m
drun
tests
commit
|
commitdiff
|
tree
2020-09-15
Paul
B
auer
Fix missi
n
g inst
a
lled files for OpenC
L
PME
commit
|
commitdiff
|
tree
2020-09-11
Pa
u
l Bauer
R
e
move leftover data afte
r
refactoring
commit
|
commitdiff
|
tree
2020-09-11
Paul
B
auer
Fix doxygen for
u
n
u
sed parameters
.
commit
|
commitdiff
|
tree
2020-09-11
Paul
Bauer
Force us
e
of Python3 in Doxygen CMakeFi
l
es
commit
|
commitdiff
|
tree
2020-09-10
P
aul B
a
uer
Minor
fix to the printout for
r
egtest build
s
commit
|
commitdiff
|
tree
2020-09-08
Paul
B
a
uer
Move den
s
ityfit
t
ing to its own directory
commit
|
commitdiff
|
tree
2020-09-07
Paul Bauer
Fi
x
output string f
o
r
G
PU support
commit
|
commitdiff
|
tree
2020-08-31
P
aul
Bauer
M
erge branch 'rele
a
se
-
2020' into master
commit
|
commitdiff
|
tree
2020-08-17
P
a
u
l
Bauer
Fix clang-format
commit
|
commitdiff
|
tree
2020-08-17
Paul Bau
e
r
Re
d
uce ar
t
ifa
c
t size
commit
|
commitdiff
|
tree
2020-07-27
P
aul
Baue
r
Revert "Change
builds that
u
se
f
a
i
ling dock
e
r containers"
commit
|
commitdiff
|
tree
2020-07-09
Paul
B
au
e
r
P
repa
r
e for GROMACS
2
0
20
.
4
commit
|
commitdiff
|
tree
2020-07-09
P
a
ul Baue
r
GRO
M
ACS version 2020
.
3
commit
|
commitdiff
|
tree
2020-07-07
Paul
Bau
e
r
Move densityf
i
t
t
ing
to
i
ts
o
wn directory
commit
|
commitdiff
|
tree
2020-07-01
Paul Bauer
Re
v
e
r
t "Make ev
e
rything run o
n
Gitlab infrastructure
.
"
commit
|
commitdiff
|
tree
2020-07-01
Paul
B
auer
C
h
ange builds
that use failin
g
dock
e
r
c
ontainers
commit
|
commitdiff
|
tree
2020-07-01
Paul Baue
r
Disable
f
a
iling builds
for mas
t
e
r br
a
nch
commit
|
commitdiff
|
tree
2020-06-29
Paul Bau
e
r
Make eve
r
y
thing r
u
n
o
n Gitlab infrastructure
.
commit
|
commitdiff
|
tree
2020-06-26
P
aul Bauer
Ma
k
e
D
SSP default path configurable
commit
|
commitdiff
|
tree
2020-06-26
Pau
l
Ba
u
er
M
i
n
or cl
e
anup i
n
gmx bar
commit
|
commitdiff
|
tree
2020-06-24
Paul Baue
r
Fix warning about needing config
.
h
commit
|
commitdiff
|
tree
2020-06-18
Pau
l
B
auer
F
ix missing #include
<
string>
commit
|
commitdiff
|
tree
2020-06-12
Paul
B
a
u
er
Fix fa
l
s
e
i
nitialization values in gmx hbond
commit
|
commitdiff
|
tree
2020-06-11
Paul Bauer
Fix false initializ
a
t
i
o
n val
u
es in gmx hbond
commit
|
commitdiff
|
tree
2020-06-10
Paul
B
aue
r
Prop
e
r
f
ix
f
o
r gmx do_d
s
sp
commit
|
commitdiff
|
tree
2020-06-09
Pau
l
B
a
u
er
Extract
C
O
M
han
d
l
ing from trjconv
commit
|
commitdiff
|
tree
2020-06-05
Paul Bauer
Fix
segmentation f
a
ul
t
when reading ener
g
y terms
commit
|
commitdiff
|
tree
2020-06-05
Paul Bauer
Use m
o
ltype d
i
rectly for obtaining resid
u
eAtomRanges
commit
|
commitdiff
|
tree
2020-06-05
Paul Baue
r
Fix fai
l
i
n
g w
e
bpage build
commit
|
commitdiff
|
tree
2020-06-04
P
a
ul Baue
r
Add ability to c
h
ose r
e
gressiontes
t
commit and branch
commit
|
commitdiff
|
tree
2020-06-02
Paul
B
a
u
er
A
d
d function to g
e
t residue start and
end
commit
|
commitdiff
|
tree
2020-05-29
Paul Bau
e
r
Add test
f
o
r
InteractionList
commit
|
commitdiff
|
tree
2020-05-29
Paul Bauer
Corr
e
ct r
e
gular expres
s
i
o
n f
o
r
clang-
t
idy
.
sh
commit
|
commitdiff
|
tree
2020-05-25
Paul Ba
u
e
r
Fix awk
e
r
r
or in clang-tidy sc
r
ipt
commit
|
commitdiff
|
tree
2020-05-25
Paul Baue
r
Fix clang-tidy w
a
rnings
commit
|
commitdiff
|
tree
2020-05-24
P
a
ul Bauer
Add convers
i
on fr
o
m new to legacy symtab
commit
|
commitdiff
|
tree
2020-05-24
Paul Ba
u
er
Avoi
d
par
s
ing
o
f f
a
tale
r
ror
.
cp
p
as lin
t
failure
commit
|
commitdiff
|
tree
2020-05-23
Paul Baue
r
Mo
d
er
n
ize convert-tpr
commit
|
commitdiff
|
tree
2020-05-23
P
a
ul
Baue
r
Add tests
f
or tool h
e
lp outp
u
t
writing
commit
|
commitdiff
|
tree
2020-05-22
Paul B
a
uer
A
v
oi
d
parsi
n
g o
f
fa
t
alerro
r
.
cpp as lint fai
l
ure
commit
|
commitdiff
|
tree
2020-05-20
P
aul Bauer
Fix com
p
ile errors
commit
|
commitdiff
|
tree
2020-05-19
P
a
ul Ba
u
er
R
emove unnecessa
r
y includes of
arrayref
.
h
commit
|
commitdiff
|
tree
2020-05-14
Pau
l
Bauer
Avoid CI errors
f
r
o
m overloading res
o
urces
commit
|
commitdiff
|
tree
2020-05-13
P
a
ul Ba
u
er
Fix check source error parsing
commit
|
commitdiff
|
tree
2020-05-12
Paul Bauer
Fix a
r
chive build
commit
|
commitdiff
|
tree
2020-05-06
Paul Bauer
Merge branch 'origin/releas
e
-2020'
into
mas
t
er
commit
|
commitdiff
|
tree
2020-05-05
Paul Bauer
Fix copyr
i
ght
commit
|
commitdiff
|
tree
2020-05-04
Paul B
a
uer
Fix cma
k
e error
:
M
ixed styles of target_link_librar
i
es
.
.
.
commit
|
commitdiff
|
tree
2020-05-04
Paul Bauer
Use te
s
t conv
e
rsion script from so
u
rce
commit
|
commitdiff
|
tree
2020-05-04
Paul Ba
u
er
Fix incorrect h
e
ader a
n
d l
i
nter
s
cripts
commit
|
commitdiff
|
tree
2020-05-01
Paul
B
auer
P
r
epare f
o
r 2
0
2
0
.
3
commit
|
commitdiff
|
tree
2020-04-30
Paul Bauer
GROMACS version 2020
.
2
commit
|
commitdiff
|
tree
2020-04-30
Paul Bau
e
r
Pri
n
t base commit fo
r
so
u
rce
l
i
nters
commit
|
commitdiff
|
tree
2020-04-30
P
a
u
l
Ba
u
er
F
ix inc
o
r
rect
header and linter
s
c
r
i
pts
commit
|
commitdiff
|
tree
2020-04-30
Paul Bauer
Disallow c
o
mbinat
i
on
o
f
g
c
c > 9 and IBM
_
VSX
commit
|
commitdiff
|
tree
2020-04-29
Paul Bauer
Prin
t
base co
m
m
it
f
or sourc
e
linters
commit
|
commitdiff
|
tree
2020-04-29
Paul Baue
r
Use test
c
onv
e
rsion script fro
m
source
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Fix
segmentation fault in do_dssp
commit
|
commitdiff
|
tree
2020-04-27
Pau
l
B
a
uer
Build pyth
o
n package for docum
e
ntation builds
commit
|
commitdiff
|
tree
2020-04-27
Paul B
a
u
e
r
Fix warning
for return type
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Fix bu
g
i
n source verification
o
n
Windo
w
s
commit
|
commitdiff
|
tree
2020-04-25
Paul Bauer
Fix copyright header
commit
|
commitdiff
|
tree
2020-04-25
P
a
ul Bauer
Use branch poin
t
al
s
o for format and co
p
yr
i
ght check
commit
|
commitdiff
|
tree
2020-04-24
Paul Bauer
Fix pa
r
al
l
el tes
t
in
g
commit
|
commitdiff
|
tree
2020-04-23
P
aul Bauer
Use b
r
anc
h
point a
l
s
o
fo
r
format and copyright c
h
eck
commit
|
commitdiff
|
tree
2020-04-23
P
a
ul Bauer
M
ake clang-tidy script more r
o
bust
commit
|
commitdiff
|
tree
2020-04-23
Paul
B
auer
Fix para
l
lel testing
commit
|
commitdiff
|
tree
2020-04-22
Pau
l
Bauer
Co
p
y of CI from maste
r
to
2
0
2
0
commit
|
commitdiff
|
tree
2020-04-20
Paul Bau
e
r
Ma
k
e te
s
ts
ch
e
ck code for warnings same as the main
.
.
.
commit
|
commitdiff
|
tree
2020-04-17
Paul Bau
e
r
Fix check source no
t
parsing er
r
ors and warni
n
g
s correctly
commit
|
commitdiff
|
tree
2020-04-16
Paul
Baue
r
Use
G
P
U
res
o
u
r
ces for build types a
g
ain
commit
|
commitdiff
|
tree
2020-04-13
Pa
u
l Bauer
T
h
e
uglie
s
t hack t
o
fix
r
ebase issues eve
r
commit
|
commitdiff
|
tree
2020-04-13
Pau
l
Bauer
Fix clang
-
tidy script and code issue
commit
|
commitdiff
|
tree
2020-04-11
Pa
u
l
Bauer
Ad
d
Imag
e
for GCC
7
and AMD OpenCL
commit
|
commitdiff
|
tree
2020-04-09
Pa
u
l Bauer
Add c
l
ang-t
i
dy script
commit
|
commitdiff
|
tree
2020-04-06
P
aul Bauer
A
dd A
M
D ima
g
e build,
v
2
commit
|
commitdiff
|
tree
2020-03-23
Paul Bauer
Fix
r
elease builds on Gitlab with re
g
ressiontests
commit
|
commitdiff
|
tree
2020-03-22
P
aul Baue
r
Fix r
e
lease builds on G
i
tlab
w
ith regressiontests
commit
|
commitdiff
|
tree
2020-03-22
Paul Bau
e
r
A
dd Documentation bu
i
ld to scr
i
pt
commit
|
commitdiff
|
tree
2020-03-21
Pa
u
l Bauer
Add
D
ocumentation build
to scr
i
pt
commit
|
commitdiff
|
tree
2020-03-20
Paul B
a
uer
Add
s
cript
to g
e
nerate CI Docker
files
commit
|
commitdiff
|
tree
2020-03-19
P
aul
Bauer
Add required Infra
s
tructure fo
r
Gitlab me
r
ges
commit
|
commitdiff
|
tree
2020-03-19
Paul B
a
uer
Add script
to generate C
I
Doc
k
er fi
l
es
commit
|
commitdiff
|
tree
2020-03-18
Paul B
a
uer
Fix i
m
age mixup for GItlab doc builds
commit
|
commitdiff
|
tree
2020-03-09
Pa
u
l B
a
u
er
Fix
wrong
D
o
cker image
s
in doc bui
l
ds
commit
|
commitdiff
|
tree
2020-03-07
Pa
u
l
Baue
r
Add clang-tidy scrip
t
commit
|
commitdiff
|
tree
2020-03-06
P
a
u
l
B
auer
Fix Gitla
b
build is
s
ues
commit
|
commitdiff
|
tree
2020-03-04
Paul Ba
u
er
M
e
rg
e
"
M
e
rge branch release-
2
0
2
0
into master"
commit
|
commitdiff
|
tree
2020-03-04
Paul Bau
e
r
Merge
b
r
a
nch r
e
lease-20
2
0 in
t
o maste
r
commit
|
commitdiff
|
tree
2020-03-03
P
a
ul Bau
e
r
Pr
e
pare fo
r
2
0
2
0
.
2
commit
|
commitdiff
|
tree
2020-03-03
P
a
ul Bauer
Version 202
0
.
1
commit
|
commitdiff
|
tree
2020-03-03
Pa
u
l
B
auer
Always hash files
when building fr
o
m
rele
a
se tarball
commit
|
commitdiff
|
tree
2020-03-02
Pa
u
l Bauer
Ad
d
Cuda build to gitla
b
C
I
commit
|
commitdiff
|
tree
2020-03-02
Paul Bauer
Rev
e
rt
"
Remove f
r
oz
e
n a
t
oms from
V
CM groups"
commit
|
commitdiff
|
tree
2020-03-02
Pa
u
l Ba
u
er
Remov
e
frozen atoms from VCM
g
roups
commit
|
commitdiff
|
tree
2020-02-28
Paul Ba
u
e
r
Mer
g
e
b
ranch r
e
lease
-
2019 into release-2020
commit
|
commitdiff
|
tree
2020-02-28
Paul Bau
e
r
Def
i
n
e
all CPU
NB
ke
r
nels
commit
|
commitdiff
|
tree
next