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Create gmx::compat::string_view
2019-04-17
P
a
ul Bauer
Crea
t
e
gmx:
:
compat::strin
g
_view
commit
|
commitdiff
|
tree
2019-04-16
Paul Baue
r
Ref
a
ctor
t
_p
i
n
dex
commit
|
commitdiff
|
tree
2019-04-07
Paul Ba
u
er
Remove
t_topolog
y
from t
w
o preprocess to
o
ls
commit
|
commitdiff
|
tree
2019-04-04
Paul Bauer
Update devel
o
per guide for change
s
to
G
err
i
t
commit
|
commitdiff
|
tree
2019-04-03
Pau
l
B
a
uer
Fix
p
ost submit
commit
|
commitdiff
|
tree
2019-04-02
Pau
l
Ba
u
er
Refact
o
r
gpp_bond
_
atomtype
commit
|
commitdiff
|
tree
2019-04-02
P
a
u
l Bauer
A
dd
s
t
d
:
:
s
t
ring
case insensitive compare
commit
|
commitdiff
|
tree
2019-04-02
Paul
Bauer
Refactor gmx_grou
p
_
t
t
o
Simulat
i
onAtomGroups
commit
|
commitdiff
|
tree
2019-04-02
Paul Bauer
Fix sim
u
lated annea
l
ing and add tes
t
commit
|
commitdiff
|
tree
2019-03-22
Paul Bau
e
r
Add
s
i
m
p
le
t
ests for sy
m
bo
l
table
commit
|
commitdiff
|
tree
2019-03-20
Paul Bauer
Add simple test
t
o preprocess bond a
t
o
m
type
commit
|
commitdiff
|
tree
2019-03-20
Paul B
a
uer
Add test for
string comparison
commit
|
commitdiff
|
tree
2019-03-19
P
a
ul
Bauer
Fi
x
ca
s
e insensi
t
ive st
r
ing comparison
commit
|
commitdiff
|
tree
2019-03-18
Paul Bauer
Simpl
e
t
e
sts for C-style st
r
ing co
m
parison
commit
|
commitdiff
|
tree
2019-03-13
Paul Bauer
Add tests for preprocess
at
o
m
types
commit
|
commitdiff
|
tree
2019-03-13
Paul Bauer
R
e
move custom
d
atastru
c
tu
r
e in vsite
pr
e
pr
o
ce
s
sing
commit
|
commitdiff
|
tree
2019-03-13
Paul Bauer
Fix errors caused by a
u
tomatic rebase
commit
|
commitdiff
|
tree
2019-03-13
P
a
ul Bauer
Refactor t_pa
r
am to InteractionType
commit
|
commitdiff
|
tree
2019-03-08
Paul Bauer
Refa
c
tor preprocessing ato
m
t
y
pes
.
commit
|
commitdiff
|
tree
2019-03-08
Paul Ba
u
e
r
Mino
r
refactoring in vsite_parm
commit
|
commitdiff
|
tree
2019-03-04
P
aul
Bauer
Merge "Merge
branch release-2019"
commit
|
commitdiff
|
tree
2019-02-27
Paul Baue
r
Refactor t_par
a
ms to In
t
erac
t
ionTypeParame
t
ers
commit
|
commitdiff
|
tree
2019-02-25
Paul
Bauer
Refac
t
or
Exclusi
o
nBlocks
commit
|
commitdiff
|
tree
2019-02-22
Paul Bauer
Add
t
e
sts for Exclusion
B
l
o
ck
s
commit
|
commitdiff
|
tree
2019-02-21
Paul Bauer
Reorgan
i
ze
r
elease no
t
es
commit
|
commitdiff
|
tree
2019-02-21
P
a
ul Baue
r
R
ef
a
ctor t_molinfo
t
o
M
oleculeInformation class
commit
|
commitdiff
|
tree
2019-02-20
Paul
Ba
u
e
r
M
erge "
M
er
g
e bra
n
ch 're
l
ease-2019'
i
nto master"
commit
|
commitdiff
|
tree
2019-02-20
Paul Bau
e
r
Merge
bran
c
h 'release-2019' i
n
t
o
m
aste
r
commit
|
commitdiff
|
tree
2019-02-20
Paul Bauer
Fi
x
release notes formatting
commit
|
commitdiff
|
tree
2019-02-19
Paul Bauer
Prepare for 2019
.
2
commit
|
commitdiff
|
tree
2019-02-15
Paul Bauer
F
ix mem
o
ry lea
k
s in editc
o
nf
commit
|
commitdiff
|
tree
2019-02-15
Paul
B
auer
Fix memor
y
issue
s
in preproce
s
s
commit
|
commitdiff
|
tree
2019-02-15
Paul Bau
e
r
Re
f
a
ctor vsite topology
commit
|
commitdiff
|
tree
2019-02-15
P
aul
B
aue
r
Ve
r
s
i
on
2019
.
1
commit
|
commitdiff
|
tree
2019-02-15
Paul Bauer
Fix tune_pm
e
commit
|
commitdiff
|
tree
2019-02-13
Paul
B
auer
R
efact
o
r rtp re
n
a
ming
commit
|
commitdiff
|
tree
2019-02-13
Paul Bauer
Mov
e
si
m
ulated
te
m
pering de
f
ault
se
t
ting
commit
|
commitdiff
|
tree
2019-02-12
Paul
B
auer
Refactor special bond
s
commit
|
commitdiff
|
tree
2019-02-12
Pa
u
l Bau
e
r
Re
f
a
c
tor
t
_rbonded an
d
t_r
b
onde
d
s
commit
|
commitdiff
|
tree
2019-02-12
P
aul Ba
u
er
R
e
factor
t_restp
commit
|
commitdiff
|
tree
2019-02-11
Pa
u
l
B
a
uer
Refactor t_hack to MoleculePa
t
ches
commit
|
commitdiff
|
tree
2019-02-11
Paul Baue
r
Fi
x
bug in
r
esid
u
e
type re
a
ding
commit
|
commitdiff
|
tree
2019-02-09
Paul Baue
r
Change nightly matri
x
l
abel to not use hwloc
commit
|
commitdiff
|
tree
2019-02-06
Paul Bauer
Re
f
actor t_h
a
ckbl
o
c
k
commit
|
commitdiff
|
tree
2019-02-04
P
a
u
l
Bauer
F
i
x segment
a
t
io
n
fault in mini
m
ize
commit
|
commitdiff
|
tree
2019-01-24
P
aul Bauer
Change gc
o
v to run on bs-mic
commit
|
commitdiff
|
tree
2019-01-24
P
a
ul Bauer
C
h
ange
gcov to run on bs-mic
commit
|
commitdiff
|
tree
2019-01-23
Paul Bauer
F
ix bug in
t
roduc
e
d
i
n
9
c2e
b
03b
commit
|
commitdiff
|
tree
2019-01-23
Paul Bauer
Change gc
o
v to run on
bs-mi
c
commit
|
commitdiff
|
tree
2019-01-23
Pa
u
l Bauer
Int
r
oduce
string comparison f
u
nction
commit
|
commitdiff
|
tree
2019-01-23
Paul Ba
u
er
Move QMM
M
charge setting to grompp
commit
|
commitdiff
|
tree
2019-01-22
Paul
Bauer
Prepare for 2018
.
6
commit
|
commitdiff
|
tree
2019-01-22
Paul Bau
e
r
Ve
r
sion 2018
.
5
commit
|
commitdiff
|
tree
2019-01-21
Paul
Bauer
Refactor Re
s
idue
T
ypes
commit
|
commitdiff
|
tree
2019-01-18
P
a
ul Bau
e
r
Change one
g
mx_m
t
op_t atom loop to C++
commit
|
commitdiff
|
tree
2019-01-17
P
a
u
l
B
auer
Change ResidueT
y
pes to c
l
as
s
commit
|
commitdiff
|
tree
2019-01-16
P
a
ul Bauer
Fix m
e
mory leak i
n
sol
v
ate
commit
|
commitdiff
|
tree
2019-01-15
Paul Bauer
Re
m
ove raw pointers in index handl
i
ng
commit
|
commitdiff
|
tree
2019-01-14
Pa
u
l Bau
e
r
R
efactor AtomProp
e
rties
into C++
commit
|
commitdiff
|
tree
2019-01-11
Paul Bauer
Make AtomPro
p
erties class with Impl
commit
|
commitdiff
|
tree
2019-01-10
Pa
u
l Bauer
Fix s
t
ring handling in vmdio
commit
|
commitdiff
|
tree
2019-01-10
Paul B
a
uer
Add m
t
op comparison f
u
nc
t
ion
commit
|
commitdiff
|
tree
2019-01-09
Paul Bauer
Fix unc
r
ustify complaining about files
commit
|
commitdiff
|
tree
2019-01-07
Paul Bauer
Reuse S
p
h
i
nx environment a
g
ain
commit
|
commitdiff
|
tree
2019-01-07
Paul Bauer
Rem
o
ve DOI entries whe
n
not on
r
elease pat
c
h
commit
|
commitdiff
|
tree
2019-01-04
Paul Bauer
Cha
n
ge gmx
_
lo
c
a
l
to
p
_
t to
C++
commit
|
commitdiff
|
tree
2018-12-31
P
a
ul Bauer
P
r
e
p
are for 2019
.
1
commit
|
commitdiff
|
tree
2018-12-31
Pa
u
l B
a
uer
GRO
M
AC
S
2019
r
e
lease
commit
|
commitdiff
|
tree
2018-12-31
Pa
u
l Bauer
M
e
rge branch
release-2018 into release-2019
commit
|
commitdiff
|
tree
2018-12-27
Paul Baue
r
Document OpenCL timer
i
ssue
.
commit
|
commitdiff
|
tree
2018-12-22
Paul Bauer
Fix mdrun -nb GPU on non-gpu builds
commit
|
commitdiff
|
tree
2018-12-19
Paul Bauer
Merge "Mer
g
e rele
a
s
e
-2019 branch
into
m
aster"
commit
|
commitdiff
|
tree
2018-12-17
Paul Bauer
Add matrix
entry to test
e
x
t
e
rnal FFTW
b
uild
commit
|
commitdiff
|
tree
2018-12-17
Pa
u
l
B
auer
Fix FFTW build
commit
|
commitdiff
|
tree
2018-12-17
Paul Bauer
C
o
py parallelisatio
n
info
f
r
o
m ol
d
w
ebpage
commit
|
commitdiff
|
tree
2018-12-17
Paul Bauer
Merge b
r
anch release-2
0
18 i
n
to re
l
ease-2019
commit
|
commitdiff
|
tree
2018-12-14
P
aul Bauer
GROM
A
CS 20
1
9
R
el
e
ase
c
a
ndidate
commit
|
commitdiff
|
tree
2018-12-11
Paul Bauer
Properly check fo
r
MSVC in build script
commit
|
commitdiff
|
tree
2018-12-10
Paul
B
au
e
r
Us
e
more const referenc
e
s
in topology
c
o
d
e
commit
|
commitdiff
|
tree
2018-12-10
Paul Bauer
Disable gmxapi by defa
u
lt
commit
|
commitdiff
|
tree
2018-12-10
Paul
Bauer
Make release notes html
o
n
ly
commit
|
commitdiff
|
tree
2018-12-10
P
a
ul B
a
uer
Change toctree depth
i
n PDF manual
commit
|
commitdiff
|
tree
2018-12-03
Pa
u
l B
a
uer
Fix e
n
ergy h
i
story
readin
g
commit
|
commitdiff
|
tree
2018-11-30
P
aul B
a
uer
Re
c
r
eate flowchart
figure
commit
|
commitdiff
|
tree
2018-11-29
Paul Bauer
More fi
x
e
s
for
I
mageMagick test script
commit
|
commitdiff
|
tree
2018-11-29
P
a
ul Bauer
Fix en
e
rgy
h
istory reading
commit
|
commitdiff
|
tree
2018-11-29
P
aul Bauer
Make Imagemagic
k
availabi
l
i
ty
m
ore visible
commit
|
commitdiff
|
tree
2018-11-29
Paul Bauer
Fix reference
m
a
nual im
a
ge s
i
zes
commit
|
commitdiff
|
tree
2018-11-29
P
a
u
l Bauer
Fix reference manua
l
doc build
commit
|
commitdiff
|
tree
2018-11-28
Paul Bauer
Fix gcc-8 w
a
r
n
ings
commit
|
commitdiff
|
tree
2018-11-26
Paul Bauer
Fix
n
ewl
i
ne p
r
inti
n
g in -v o
u
t
p
ut
commit
|
commitdiff
|
tree
2018-11-22
Paul B
a
uer
Prepar
e
for 2019 relea
s
e candidate
commit
|
commitdiff
|
tree
2018-11-22
Pau
l
Bauer
GROMACS 2
0
19 third
beta release
commit
|
commitdiff
|
tree
2018-11-21
Pa
u
l Baue
r
Merge
b
ranc
h
re
l
ease-2018 into rele
a
s
e
-2
0
19
commit
|
commitdiff
|
tree
2018-11-15
Paul Bauer
Refine F
i
ndSphinx
commit
|
commitdiff
|
tree
2018-11-15
Paul Bau
e
r
Rework G
M
XAPI tests
commit
|
commitdiff
|
tree
2018-11-13
Paul Bauer
Ad
d
cool quote
commit
|
commitdiff
|
tree
2018-11-12
Paul Bauer
Update to prepare for
2018
.
5
p
oi
n
t re
l
ea
s
e
commit
|
commitdiff
|
tree
2018-11-12
P
a
ul B
a
ue
r
V
ersion 2018
.
4
commit
|
commitdiff
|
tree
2018-11-08
Paul Baue
r
Give error when rerun with i
d
entical file names
commit
|
commitdiff
|
tree
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