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Quiet unused variable warnings
2018-11-02
M
a
rk Abraham
Quiet unused varia
b
le warnings
commit
|
commitdiff
|
tree
2018-11-01
M
.
E
r
ic Irrgang
Fully define symbol
s
in restrai
n
t
p
otential
.
h
commit
|
commitdiff
|
tree
2018-10-30
M
a
r
k Abraham
U
p
dates to d
o
cs for OpenCL
s
u
p
port
commit
|
commitdiff
|
tree
2018-10-26
Paul
Bauer
Fix link
f
orm
a
t
t
ing
i
n
developer manual
commit
|
commitdiff
|
tree
2018-10-26
P
a
ul Bauer
Update user do
c
u
m
e
ntat
i
on overview
commit
|
commitdiff
|
tree
2018-10-22
P
a
ul Baue
r
Prepare for beta
2
commit
|
commitdiff
|
tree
2018-10-22
Pa
u
l Bauer
GROMACS 2019 fir
s
t
beta rele
a
se
commit
|
commitdiff
|
tree
2018-10-18
Paul
B
auer
R
e
move
un
u
sed
file
s
in do
c
s/manual
commit
|
commitdiff
|
tree
2018-10-18
Paul
Bauer
Fix segm
e
nt
a
tion fault in gmx
he
l
ix
commit
|
commitdiff
|
tree
2018-10-15
M
.
Er
i
c I
r
rgang
Prepa
r
ation f
o
r de-duplicating
mdrun set
u
p
commit
|
commitdiff
|
tree
2018-10-14
M
.
Eric Irrg
a
n
g
Add some "to d
o
"s
for MDMo
d
ules an
d
Impl
.
commit
|
commitdiff
|
tree
2018-10-14
M
a
r
k Ab
r
a
ham
Fix com
p
iler
w
arnings
commit
|
commitdiff
|
tree
2018-10-11
M
a
rk Abraham
Op
e
n
mdrun l
o
g file o
n
ly o
n
ce
commit
|
commitdiff
|
tree
2018-10-10
Paul Bauer
W
r
ong name for report-met
h
o
d
s tool
commit
|
commitdiff
|
tree
2018-10-10
Berk Hess
Move pu
l
l output functio
n
s to ou
t
put
.
cpp
commit
|
commitdiff
|
tree
2018-10-10
Berk Hess
Min
o
r re
f
actor
i
ng
i
n bo
n
ded
threadi
n
g
commit
|
commitdiff
|
tree
2018-10-04
Berk
H
ess
Add note to avo
i
d const
r
aint
s
=a
l
l-
b
onds
commit
|
commitdiff
|
tree
2018-10-03
P
aul Baue
r
Chan
g
e accep
t
able precisi
o
n in
minimizer test
commit
|
commitdiff
|
tree
2018-10-03
M
.
Eric Irr
g
a
n
g
Combine private section
s
of Mdrunner definit
i
on
.
commit
|
commitdiff
|
tree
2018-09-27
Berk Hess
Move maxReferenc
e
Temperature
(
) to inputrec
commit
|
commitdiff
|
tree
2018-09-27
P
aul Bauer
Add mindist output file
ch
e
ck
commit
|
commitdiff
|
tree
2018-09-27
B
e
rk Hess
Im
p
r
o
ve up
d
ate gr
o
u
p
rad
i
i
commit
|
commitdiff
|
tree
2018-09-27
Berk Hess
Reorga
n
ize RVec
scali
n
g functions
commit
|
commitdiff
|
tree
2018-09-26
Be
r
k Hess
Support at
o
m groups
in
nbnxn_search
commit
|
commitdiff
|
tree
2018-09-21
Pascal M
e
rz
Make
C
GLO_
C
HECK_NUMBER_OF_BONDED_IN
T
ER
A
C
TI
O
NS
r
e
quire
.
.
.
commit
|
commitdiff
|
tree
2018-09-20
P
a
ul
Bauer
Sep
a
rate m
e
thods to create l
o
calt
o
p and
t_topology
commit
|
commitdiff
|
tree
2018-09-19
M
.
Eric I
r
r
g
ang
Change names of gm
x
api:
:
Ve
r
sion functions
.
commit
|
commitdiff
|
tree
2018-09-19
Mark Abraham
Fix
b
ug wit
h
s
t
ate natom
s
i
n
membed
commit
|
commitdiff
|
tree
2018-09-14
Pa
u
l
B
au
e
r
Remove L
a
TeX file
w
riti
n
g from gmx che
c
k
commit
|
commitdiff
|
tree
2018-09-13
Mark Ab
r
aham
Elimin
a
t
e
main
.
h
commit
|
commitdiff
|
tree
2018-09-07
Mark Ab
r
aham
Separate
s
imula
t
ion data
b
ase used in tests
commit
|
commitdiff
|
tree
2018-09-05
M
.
E
ric
I
rrgang
Adjust load
e
r
pa
t
h
r
e
s
olution on Mac OS
X
.
commit
|
commitdiff
|
tree
2018-09-05
Mar
k
Ab
r
a
h
a
m
Be qu
i
e
ter when failing to detect GPUs
commit
|
commitdiff
|
tree
2018-09-05
Paul Bauer
I
mprove st
a
bilit
y
of parallel do
c
umentation build
commit
|
commitdiff
|
tree
2018-09-03
Paul Bau
e
r
Fi
x
error
in docu
m
entation build
commit
|
commitdiff
|
tree
2018-09-03
K
evin Boyd
Correct info in Berendsen p-coupling mdp opt
i
on
commit
|
commitdiff
|
tree
2018-09-03
Rola
n
d
Sch
u
lz
Reduce duplic
a
t
i
on
in gpu_utils
commit
|
commitdiff
|
tree
2018-08-28
P
a
ul Bauer
Fix documentation
build without imagemagick
commit
|
commitdiff
|
tree
2018-08-23
Paul Baue
r
Update to p
r
e
p
a
re
f
or
2
0
18
.
4
p
o
int release
commit
|
commitdiff
|
tree
2018-08-23
Paul Bauer
Version
2
018
.
3
commit
|
commitdiff
|
tree
2018-08-22
Mark Abraham
P
e
rmi
t
PME on GPUs only for d
y
nami
c
al
i
ntegrators
commit
|
commitdiff
|
tree
2018-08-21
Berk Hes
s
E
nsure
domains are
l
arg
e
enough f
o
r
at
o
m motion
commit
|
commitdiff
|
tree
2018-08-01
Pau
l
Bauer
Fix -skip option for gmx rms
commit
|
commitdiff
|
tree
2018-07-24
Pa
u
l
Bauer
Change manual section
o
n
r
estarts w/o checkpoint
commit
|
commitdiff
|
tree
2018-06-08
Paul Bauer
Fix g
m
x
so
l
v
a
t
e wi
t
h multiple
solve
n
t molecule types
commit
|
commitdiff
|
tree
2018-05-30
P
a
ul B
a
uer
Disallow
u
se
of empty box information in solvent files
commit
|
commitdiff
|
tree
2018-04-26
Paul Bauer
Split up t
o
polo
g
y
s
e
cti
o
n in manual
commit
|
commitdiff
|
tree
2018-04-26
P
aul Bauer
Sp
l
it up al
g
orithms manual p
a
ge
commit
|
commitdiff
|
tree
2018-04-18
Pa
u
l Bauer
Remove obs
o
le
t
e varia
b
le p
r
ec
g
ro file
ou
t
put
commit
|
commitdiff
|
tree
2017-12-19
P
a
u
l
Bauer
Removed -
s
k
ip option from gm
x
en
e
rgy
commit
|
commitdiff
|
tree
2017-12-11
Paul Bauer
Fewer
mes
s
ages when -cpi
f
il
e
is
not
p
resent
commit
|
commitdiff
|
tree
2017-12-08
P
a
ul Bau
e
r
Add
i
n
f
ormation regarding xlc compiler
commit
|
commitdiff
|
tree