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Remove source file with no content
2018-11-05
Mark Abr
a
ham
Remove
s
o
urce file
w
i
t
h
no co
n
t
e
nt
commit
|
commitdiff
|
tree
2018-11-05
Paul
B
auer
Fix
n
on ascii
characte
r
s in manual
r
efe
r
ences
commit
|
commitdiff
|
tree
2018-11-05
Paul Bauer
Fix formatting i
s
sue
commit
|
commitdiff
|
tree
2018-11-02
Ma
r
k Abraham
Qui
e
t unused var
i
able warnings
commit
|
commitdiff
|
tree
2018-11-01
M
.
Eric Irrgang
Ful
l
y d
e
fine
symbol
s
in res
t
r
a
intpotential
.
h
commit
|
commitdiff
|
tree
2018-10-30
Mark
A
braha
m
Updates to docs
f
or
OpenCL s
u
p
p
ort
commit
|
commitdiff
|
tree
2018-10-26
Pa
u
l Bauer
Fix link forma
t
ting in d
e
ve
l
op
e
r manual
commit
|
commitdiff
|
tree
2018-10-26
P
a
ul Bauer
U
pdate user documentat
i
o
n
overvi
e
w
commit
|
commitdiff
|
tree
2018-10-22
Paul Bauer
Prepa
r
e
for beta 2
commit
|
commitdiff
|
tree
2018-10-22
Paul Bauer
GROMACS 2019 first bet
a
re
l
ease
commit
|
commitdiff
|
tree
2018-10-18
Pau
l
B
a
u
e
r
Remove unu
s
ed fil
e
s in do
c
s/manual
commit
|
commitdiff
|
tree
2018-10-18
Paul Bau
e
r
Fix s
e
gmentati
o
n fault in
gmx he
l
ix
commit
|
commitdiff
|
tree
2018-10-15
M
.
Eric
I
r
rgang
Prepara
t
ion f
o
r
d
e
-duplicating mdrun s
e
tup
commit
|
commitdiff
|
tree
2018-10-14
M
.
Eric I
r
rgang
Add some
"
t
o
do"s for MDModules and Impl
.
commit
|
commitdiff
|
tree
2018-10-14
Mark Abraha
m
Fix compiler
warnings
commit
|
commitdiff
|
tree
2018-10-11
Mark
A
b
raham
Op
e
n mdru
n
l
og
f
ile onl
y
once
commit
|
commitdiff
|
tree
2018-10-10
P
a
ul Bauer
W
r
ong name for report-methods tool
commit
|
commitdiff
|
tree
2018-10-10
Berk
H
ess
Move pull output fu
n
ctions t
o
ou
t
pu
t
.
cpp
commit
|
commitdiff
|
tree
2018-10-10
B
erk Hess
Minor refactorin
g
in bonded
t
hreading
commit
|
commitdiff
|
tree
2018-10-04
Be
r
k Hess
Add not
e
to avo
i
d
const
r
a
i
nts=a
l
l-bonds
commit
|
commitdiff
|
tree
2018-10-03
Paul Bauer
Change acceptable
p
recis
i
on in minimi
z
er
t
est
commit
|
commitdiff
|
tree
2018-10-03
M
.
Eric Ir
r
g
an
g
Combine
p
r
i
vate sect
i
on
s
of Mdrunner definition
.
commit
|
commitdiff
|
tree
2018-09-27
B
e
rk Hess
Move max
R
efe
r
enceTemperatu
r
e() to i
n
p
utrec
commit
|
commitdiff
|
tree
2018-09-27
Paul Bauer
Add mindist output f
i
le check
commit
|
commitdiff
|
tree
2018-09-27
Berk Hess
Improve update group
r
adii
commit
|
commitdiff
|
tree
2018-09-27
Be
r
k Hess
Reorganize RVec scaling functions
commit
|
commitdiff
|
tree
2018-09-26
Berk Hess
Support at
o
m groups i
n
n
b
nxn_sea
r
ch
commit
|
commitdiff
|
tree
2018-09-21
P
a
scal Me
r
z
Make CG
L
O
_
C
H
ECK_N
U
MBER
_
O
F
_BO
N
DED_INTERA
C
TI
O
NS
r
equire
.
.
.
commit
|
commitdiff
|
tree
2018-09-20
Paul Bauer
Separate metho
d
s
t
o
create lo
c
altop and t_topology
commit
|
commitdiff
|
tree
2018-09-19
M
.
Er
i
c Irrg
a
n
g
Change
names
o
f gmxa
p
i::V
e
rsion functions
.
commit
|
commitdiff
|
tree
2018-09-19
Mark
A
braham
Fix bug wi
t
h stat
e
natom
s
in
m
e
mbed
commit
|
commitdiff
|
tree
2018-09-14
Paul Bauer
Remove LaTe
X
f
ile
wri
t
ing fr
o
m gmx c
h
ec
k
commit
|
commitdiff
|
tree
2018-09-13
Ma
r
k Ab
r
a
h
am
E
l
iminate main
.
h
commit
|
commitdiff
|
tree
2018-09-07
Mar
k
Ab
r
aham
Separ
a
te s
i
m
ulation datab
a
se used in tests
commit
|
commitdiff
|
tree
2018-09-05
M
.
E
r
i
c Irrg
a
ng
A
d
j
u
st loader
path
reso
l
ution on Mac OS X
.
commit
|
commitdiff
|
tree
2018-09-05
Mark Abraham
Be quiet
e
r when fail
i
ng t
o
d
e
t
ect GPUs
commit
|
commitdiff
|
tree
2018-09-05
P
a
u
l Bauer
Improve stability of parallel docum
e
n
tation build
commit
|
commitdiff
|
tree
2018-09-03
Paul Bauer
Fix er
r
or in docume
n
ta
t
ion build
commit
|
commitdiff
|
tree
2018-09-03
Kevin Boy
d
Correct i
n
f
o in
Be
r
end
s
en p-coup
l
ing mdp opti
o
n
commit
|
commitdiff
|
tree
2018-09-03
Roland Schulz
Red
u
ce duplication
i
n
gp
u
_utils
commit
|
commitdiff
|
tree
2018-08-28
Paul Bauer
Fix documentation build wi
t
hout
i
magemagi
c
k
commit
|
commitdiff
|
tree
2018-08-23
P
aul Bauer
Upda
t
e to
p
repare for 20
1
8
.
4 point release
commit
|
commitdiff
|
tree
2018-08-23
Paul
Bauer
V
e
rs
i
on 2018
.
3
commit
|
commitdiff
|
tree
2018-08-22
Ma
r
k Abraham
Permit PME on GPUs only for dynamic
a
l in
t
egrators
commit
|
commitdiff
|
tree
2018-08-21
B
e
r
k H
e
ss
Ensure d
o
mai
n
s are large enoug
h
for
ato
m
m
o
ti
o
n
commit
|
commitdiff
|
tree
2018-08-01
Paul Ba
u
er
Fix -skip option for gmx rm
s
commit
|
commitdiff
|
tree
2018-07-24
Pa
u
l Bauer
Change manual
section on re
s
tarts w/o checkpoint
commit
|
commitdiff
|
tree
2018-06-08
Pa
u
l Ba
u
e
r
Fix gmx s
o
lv
a
t
e
with multiple solvent mol
e
c
u
l
e
t
yp
e
s
commit
|
commitdiff
|
tree
2018-05-30
Paul Bauer
Disallow
u
se of empt
y
box
i
nformation in solvent file
s
commit
|
commitdiff
|
tree
2018-04-26
Pau
l
Bauer
Split up topology s
e
ction in manual
commit
|
commitdiff
|
tree
2018-04-26
Paul Bau
e
r
Split
up algorithms ma
n
ual page
commit
|
commitdiff
|
tree
2018-04-18
Paul Ba
u
e
r
Remove obsolete variable prec
g
ro file ou
t
pu
t
commit
|
commitdiff
|
tree
2017-12-19
Paul Ba
u
er
Removed -s
k
ip optio
n
from gm
x
e
nergy
commit
|
commitdiff
|
tree
2017-12-11
Paul Bauer
Fewer messages w
h
en -cpi fil
e
is not present
commit
|
commitdiff
|
tree
2017-12-08
Paul
Bau
e
r
A
d
d information regard
i
ng xlc comp
i
ler
commit
|
commitdiff
|
tree