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Fix compiler warnings
2018-10-14
Mark Abrah
a
m
Fix
c
om
p
iler warnings
commit
|
commitdiff
|
tree
2018-10-11
Mark Abraham
Ope
n
mdrun log file
only once
commit
|
commitdiff
|
tree
2018-10-10
Pau
l
Ba
u
e
r
Wrong name for report-method
s
tool
commit
|
commitdiff
|
tree
2018-10-10
Berk Hess
M
ove pull o
u
tput function
s
to
outp
u
t
.
cpp
commit
|
commitdiff
|
tree
2018-10-10
Berk
Hes
s
Minor ref
a
ctoring in bonded thread
i
ng
commit
|
commitdiff
|
tree
2018-10-04
Berk Hess
Add
note to
a
void c
o
n
st
r
aints=all
-
bonds
commit
|
commitdiff
|
tree
2018-10-03
Paul B
a
u
e
r
Cha
n
g
e
acceptable p
r
ecision i
n
minimizer tes
t
commit
|
commitdiff
|
tree
2018-10-03
M
.
Eri
c
I
rrg
a
ng
Combi
n
e
private s
e
ctions of
Mdrunner defi
n
ition
.
commit
|
commitdiff
|
tree
2018-09-27
Berk Hess
Mov
e
maxRefere
n
ceTemperatu
r
e(
)
to inp
u
trec
commit
|
commitdiff
|
tree
2018-09-27
Ber
k
Hes
s
I
m
prove upda
t
e
gr
o
u
p radii
commit
|
commitdiff
|
tree
2018-09-27
Ber
k
Hess
R
eorgani
z
e RVec scalin
g
f
u
nctions
commit
|
commitdiff
|
tree
2018-09-26
Berk
H
e
ss
Support
a
tom groups in nbnxn_se
a
rch
commit
|
commitdiff
|
tree
2018-09-21
Pascal Merz
Ma
k
e CGLO_CHE
C
K_NUMBER_OF_BONDED_INTE
R
ACTI
O
NS
r
equire
.
.
.
commit
|
commitdiff
|
tree
2018-09-20
Paul
B
auer
S
e
parate method
s
to
c
reat
e
localtop and t_topol
o
gy
commit
|
commitdiff
|
tree
2018-09-19
M
.
Eric
Irrgang
C
h
ang
e
names of gmxapi:
:
Version func
t
ions
.
commit
|
commitdiff
|
tree
2018-09-14
Paul Bauer
Remove
L
aTeX file
writing from gmx che
c
k
commit
|
commitdiff
|
tree
2018-09-13
Mark Abraham
E
li
m
inate
main
.
h
commit
|
commitdiff
|
tree
2018-09-07
M
a
rk Abraha
m
Se
p
ar
a
t
e
simu
l
ation d
a
taba
s
e u
s
ed in
t
ests
commit
|
commitdiff
|
tree
2018-09-05
M
.
Eric Irrgang
Adjust loa
d
er path resolut
i
o
n
on
Mac OS X
.
commit
|
commitdiff
|
tree
2018-09-05
Mark
Abraha
m
B
e
quiet
e
r when
failing to detect GPUs
commit
|
commitdiff
|
tree
2018-09-05
Paul Bauer
Improve
s
ta
b
ility of
p
arallel
d
ocumentati
o
n b
u
ild
commit
|
commitdiff
|
tree
2018-09-03
P
aul Ba
u
er
Fix
erro
r
i
n
documentation build
commit
|
commitdiff
|
tree
2018-09-03
R
o
lan
d
Schulz
R
edu
c
e du
p
lica
t
ion in gpu_utils
commit
|
commitdiff
|
tree
2018-08-28
Paul
Bauer
F
ix documentation bui
l
d witho
u
t imagem
a
gick
commit
|
commitdiff
|
tree
2018-08-23
P
a
ul Bauer
Upda
t
e to prepare for 2018
.
4 poi
n
t release
commit
|
commitdiff
|
tree
2018-08-23
Paul Bauer
Version 2018
.
3
commit
|
commitdiff
|
tree
2018-08-22
Ma
r
k
Abraham
Permit PME on G
P
Us only
f
or dynamical inte
g
rat
o
rs
commit
|
commitdiff
|
tree
2018-08-21
Berk Hess
Ensure
d
omains are large eno
u
g
h
for atom m
o
tio
n
commit
|
commitdiff
|
tree
2018-08-01
Pa
u
l
Bau
e
r
Fix -skip option for gmx rms
commit
|
commitdiff
|
tree
2018-07-24
Pau
l
Bauer
C
han
g
e manual section on r
e
starts
w
/o
c
heckpoint
commit
|
commitdiff
|
tree
2018-06-08
Paul Bauer
Fix
gm
x
solvate with multi
p
le solvent
mo
l
ecule types
commit
|
commitdiff
|
tree
2018-05-30
Paul Bauer
Di
s
al
l
o
w us
e
of empty box infor
m
ation in solv
e
nt f
i
les
commit
|
commitdiff
|
tree
2018-04-26
P
aul
Bauer
Spl
i
t up
t
o
p
ology
se
c
tion in manual
commit
|
commitdiff
|
tree
2018-04-26
Paul Bauer
Spl
i
t up algorit
h
ms man
u
a
l page
commit
|
commitdiff
|
tree
2018-04-18
P
aul B
a
u
e
r
Remo
v
e obsol
e
te
v
ariable prec gro file output
commit
|
commitdiff
|
tree
2017-12-19
Paul
B
au
e
r
R
emoved -skip o
p
ti
o
n from gmx energy
commit
|
commitdiff
|
tree
2017-12-11
Paul
B
auer
Few
e
r messages when -cpi f
i
l
e
is
not present
commit
|
commitdiff
|
tree
2017-12-08
Paul Bauer
A
d
d
information regarding xlc compiler
commit
|
commitdiff
|
tree