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Version 5.0.7
2015-10-14
Mark Abraham
V
er
s
i
on 5
.
0
.
7
commit
|
commitdiff
|
tree
2015-10-13
Mark Abraham
Merge branch release-4-6 into
r
e
l
ea
s
e-5-0
commit
|
commitdiff
|
tree
2015-10-03
Ma
r
k
Abrah
a
m
Fix FindFFTW behavi
o
ur
commit
|
commitdiff
|
tree
2015-09-06
Mark Ab
r
ah
a
m
Add
GR
O
M
A
C
S 5
p
aper
to pape
r
lists
commit
|
commitdiff
|
tree
2015-08-13
Mark A
b
raham
Make
i
t
easi
e
r to find
selecti
o
n help
commit
|
commitdiff
|
tree
2015-08-08
Mar
k
A
braham
Fix docs of ftypes of d
i
hedrals
commit
|
commitdiff
|
tree
2015-08-05
Mark Abr
a
h
a
m
F
ix
e
m d
a
sh in new
r
e
fe
r
e
nce
commit
|
commitdiff
|
tree
2015-08-03
Mark A
b
r
aham
F
i
x poss
i
ble linking of lib
x
ml2 to zlib
commit
|
commitdiff
|
tree
2015-07-26
Mark Abraham
Sto
p
mdr
u
n printing po
t
entia
l
ly
u
ndefined value
commit
|
commitdiff
|
tree
2015-07-26
Mark
Abraham
Version bumps after new rele
a
se
commit
|
commitdiff
|
tree
2015-07-24
M
a
rk A
b
r
aham
Version 5
.
0
.
6
commit
|
commitdiff
|
tree
2015-07-19
M
a
rk Abraham
Upd
a
te advice abou
t
g
r
ompp -t
commit
|
commitdiff
|
tree
2015-07-08
M
a
rk
A
braham
Gi
v
e
b
T
y
pePe
r
tu
r
bed a
valid
i
nitial va
l
ue
commit
|
commitdiff
|
tree
2015-07-08
Mark A
b
raham
Fix g
r
ompp
.
e
d
r I
O
esti
m
ate f
o
r
f
r
e
e
-e
n
ergy calcs
commit
|
commitdiff
|
tree
2015-06-29
Mark Abrah
a
m
Mer
g
e release-4-
6
in
t
o release-5-0
commit
|
commitdiff
|
tree
2015-06-26
Mark Abraham
M
erg
e
release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2015-06-26
Mark Abraham
Fix m
d
run -confout som
e
t
i
m
es affecting
f
i
n
al
.
edr frame
commit
|
commitdiff
|
tree
2015-06-24
Ma
r
k Abraham
Mer
g
e release-4
-
6 in
t
o
release-5-0
commit
|
commitdiff
|
tree
2015-06-16
Ma
r
k
Abraham
S
top people install
i
ng into
the b
u
ild tree
commit
|
commitdiff
|
tree
2015-06-16
Mark Abraham
Fix
p
airs_nb not recogn
i
ze
d
as part
o
f
molecu
l
et
y
pe
commit
|
commitdiff
|
tree
2015-06-11
Mark
Abraham
Merge "Me
r
ge branch release
-
4
-
6 into release-5-0" int
o
.
.
.
commit
|
commitdiff
|
tree
2015-06-09
Mark Abraham
Docu
m
ent limitations of trjco
n
v -dump
commit
|
commitdiff
|
tree
2015-06-09
Mark Abraham
Merge bran
c
h
r
elease-
4
-6 into re
l
ease-5-
0
commit
|
commitdiff
|
tree
2015-05-26
M
a
rk Abraham
Fix use o
f
hard-c
o
ded
temporary
f
il
e
name
commit
|
commitdiff
|
tree
2015-05-23
Mark Abraham
Fix misuse
o
f gmx_
s
imd_check_an
d
_r
e
set_overflow
commit
|
commitdiff
|
tree
2015-05-16
Mark Abra
h
am
Sup
p
r
ess GCC5 wa
r
nings with
internal Boost
commit
|
commitdiff
|
tree
2015-05-14
Mark
Abraham
Fix o
w
n
-
FFTW
build
commit
|
commitdiff
|
tree
2015-05-13
Mark Abra
h
am
Vers
i
on bumps afte
r
new r
e
le
a
se
commit
|
commitdiff
|
tree
2015-05-13
M
ark Abrah
a
m
Version 5
.
0
.
5
commit
|
commitdiff
|
tree
2015-05-12
Mark Abra
h
am
Fix uniniti
a
lized fields in grompp t_state
commit
|
commitdiff
|
tree
2015-05-11
M
a
rk Abraham
Work around gcc 5
w
arnings with Google Test
commit
|
commitdiff
|
tree
2015-05-06
Mark Abra
h
am
Fixed rec
e
ntl
y
-introduce
d
couple-
l
a
mbda warning
messa
g
e
commit
|
commitdiff
|
tree
2015-05-06
Mark Abra
h
am
Fix SIMD unit tests on BG/Q
commit
|
commitdiff
|
tree
2015-05-05
Mark Abraham
Merg
e
release-4-6 into relea
s
e-5-0
commit
|
commitdiff
|
tree
2015-03-19
Mark A
b
r
aham
Mad
e
e
r
ror message more generic
commit
|
commitdiff
|
tree
2015-03-05
M
a
rk Abraham
Fix An
d
erse
n
thermos
t
ats
commit
|
commitdiff
|
tree
2015-02-02
Mark Abraham
Avoid near-si
l
ent generation
o
f
z
ero en
e
rgie
s
commit
|
commitdiff
|
tree
2015-02-02
Mark Abraham
Fix use of simd
.
h
commit
|
commitdiff
|
tree
2015-01-23
Mark Abraham
Upda
t
e Fi
n
dC
U
DA work-around
commit
|
commitdiff
|
tree
2015-01-16
Mar
k
Abrah
a
m
Fix B
l
ueGene/Q build wi
t
h recent CMa
k
e
commit
|
commitdiff
|
tree
2015-01-14
Mark Abr
a
ham
Fix
a
nd suppress wa
r
nings on BlueGene
/
Q
commit
|
commitdiff
|
tree
2015-01-08
Mark
A
br
a
h
am
Handle ivec* corre
c
tly i
n
D
D
error
m
essage
commit
|
commitdiff
|
tree
2014-12-15
M
a
rk Abraha
m
V
ersion bu
m
ps after new
release
commit
|
commitdiff
|
tree
2014-12-15
Ma
r
k
A
b
r
aha
m
Ver
s
io
n
5
.
0
.
4
commit
|
commitdiff
|
tree
2014-12-15
Mark Abr
a
ham
Merge "Me
r
ge r
e
l
ease-4-
6
into relea
s
e
-
5
-
0" into re
l
e
ase-5-0
commit
|
commitdiff
|
tree
2014-12-11
Mark Abraham
Merge release-
4
-6 into release-5-
0
commit
|
commitdiff
|
tree
2014-12-09
Mark Ab
r
a
h
am
Versi
o
n bump
s
afte
r
ne
w
release
commit
|
commitdiff
|
tree
2014-12-09
M
a
rk Ab
r
aha
m
V
ersion 5
.
0
.
3
commit
|
commitdiff
|
tree
2014-12-08
Mark Abraham
Fix group-scheme bug with changing L
J
parameters in FE
commit
|
commitdiff
|
tree
2014-11-27
Mark Abraham
R
emove use o
f
interactio
n
_
mask_indices
o
n
BG/Q
commit
|
commitdiff
|
tree
2014-11-27
Mark A
b
rah
a
m
M
erge bra
n
ch rele
a
se-4-
6
int
o
r
e
le
a
se-5
-
0
commit
|
commitdiff
|
tree
2014-10-17
Mark
A
br
a
ham
Extend gmock
to
turn off socket
l
i
stener
commit
|
commitdiff
|
tree
2014-10-13
Mark A
b
raham
Merge release-4-6 into
re
l
ease-5-0
commit
|
commitdiff
|
tree
2014-10-06
M
ark Abrah
a
m
Fix trjco
n
v -spli
t
n
o
t closing files
commit
|
commitdiff
|
tree
2014-10-01
Mark Abr
a
ham
Ve
r
sion
bump
s
after
new release
commit
|
commitdiff
|
tree
2014-10-01
M
ar
k
Abraham
Versi
o
n 5
.
0
.
2
commit
|
commitdiff
|
tree
2014-09-29
Mark Abr
a
h
am
Merge
"
Merge release-4
-
6 in
t
o
release-5-0" into rel
e
a
s
e-5-
0
commit
|
commitdiff
|
tree
2014-09-18
Mark Abraham
Me
r
ge branch release-4-6
i
nto r
e
lease-5-0
commit
|
commitdiff
|
tree
2014-09-11
Mark
A
braham
Remove
docume
n
tation references to opti
m
ize
-
fft
commit
|
commitdiff
|
tree
2014-09-05
Mark Abraham
Ve
r
si
o
n bumps af
t
e
r
new re
l
ease
commit
|
commitdiff
|
tree
2014-09-05
Mark
Abraham
Versi
o
n 5
.
0
.
1
commit
|
commitdiff
|
tree
2014-09-03
Mark
A
braham
Fix mis-use
of fabs in LAPACK
commit
|
commitdiff
|
tree
2014-09-03
Mark
Abraham
More hack
i
ng to g
e
t the tem
p
late to de
t
ect and
b
uild
commit
|
commitdiff
|
tree
2014-09-01
M
ark Abra
h
am
F
i
x and documen
t
i
ssues with template
.
cpp
commit
|
commitdiff
|
tree
2014-09-01
Mark
Abraham
M
e
rge "
M
e
r
ge branch release-4-6 i
n
to relea
s
e-5
-
0" into
.
.
.
commit
|
commitdiff
|
tree
2014-09-01
Mark Abraham
Fixes a
n
d updat
e
s
t
o
B
l
ueGene/Q suppo
r
t
commit
|
commitdiff
|
tree
2014-09-01
Mark Abraham
Merge bran
c
h
release-4-
6
i
nto
r
e
lease-5-0
commit
|
commitdiff
|
tree
2014-09-01
Mark Abraham
Me
r
ge "Merge branc
h
rel
e
ase-4
-
6 int
o
rel
e
ase-5-
0
"
into
.
.
.
commit
|
commitdiff
|
tree
2014-08-29
M
a
rk Ab
r
aham
Version
bum
p
after 4
.
6
.
7
commit
|
commitdiff
|
tree
2014-08-29
Mar
k
Abraham
Me
r
ge branc
h
rel
e
a
se-4-6 into re
l
ease-
5
-0
commit
|
commitdiff
|
tree
2014-08-23
Mark Abrah
a
m
G
e
n
eraliz
e
markdown
c
onfigur
a
tion
mac
h
i
ner
y
commit
|
commitdiff
|
tree
2014-08-23
M
ark Abraham
U
nify doc
u
ment
a
tion
fo
r
webp
a
ge buil
d
commit
|
commitdiff
|
tree
2014-08-22
Mark Abraham
Fix zlib usag
e
with TNG
commit
|
commitdiff
|
tree
2014-08-16
Mark Abrah
a
m
Fix gmx tune_pme
with LJ-P
M
E
commit
|
commitdiff
|
tree
2014-08-16
Mark Abraham
Fi
x
w
al
l
cycl
e
counting with
md-vv, sd
a
nd sd2
commit
|
commitdiff
|
tree
2014-07-09
Mark Abr
a
ham
Name t
h
e tarball
how we
l
ike
i
t
commit
|
commitdiff
|
tree
2014-07-09
Mark Abraham
Quieten rep
e
ate
d
cma
k
e runs
commit
|
commitdiff
|
tree
2014-07-07
Mark Abraham
Fix tarball and ins
t
a
ll, parti
c
ularly for INS
T
ALL
commit
|
commitdiff
|
tree
2014-07-07
Mark Abraham
Ve
r
sion bump
a
fter 4
.
6
.
6 release
commit
|
commitdiff
|
tree
2014-07-01
Mark Abraham
Fix GM
o
ck
to work on MSVC
commit
|
commitdiff
|
tree
2014-06-29
M
a
r
k Abraham
V
e
rsion
bump for 5
.
0
commit
|
commitdiff
|
tree
2014-06-29
Mark Abraham
A
d
d forgo
t
ten licen
s
es
t
o COP
Y
ING
commit
|
commitdiff
|
tree
2014-06-29
Mark Abrah
a
m
Refer to "m
i
xed" preci
s
ion
in user-facing documentation
commit
|
commitdiff
|
tree
2014-06-29
Mar
k
Abraham
Convert i
n
stall g
u
ide to markdown
commit
|
commitdiff
|
tree
2014-06-29
Mark Ab
r
aham
M
e
rge
"
Merge release-4-6 int
o
rele
a
se-5-0" into release-5-0
commit
|
commitdiff
|
tree
2014-06-28
Mark Ab
r
aham
Merg
e
branch 'release-4-6' into release-5-0
commit
|
commitdiff
|
tree
2014-06-28
M
a
rk Abraha
m
Use parallel terminology more consis
t
ent
l
y
commit
|
commitdiff
|
tree
2014-06-26
Mar
k
A
b
raham
Me
r
ge "Merge rel
e
ase-4-6
into release-5-0" into r
e
l
e
a
s
e-5
-
0
commit
|
commitdiff
|
tree
2014-06-24
Mark
A
braham
Manual fixes
commit
|
commitdiff
|
tree
2014-06-18
Mark Ab
r
aham
Made mdr
u
n warn when generic kernels a
r
e used
commit
|
commitdiff
|
tree
2014-06-06
Mark Abraham
Merge release-4-
6
i
n
to re
l
ease-5-0
commit
|
commitdiff
|
tree
2014-06-05
M
ark Abraham
New
q
uotes
commit
|
commitdiff
|
tree
2014-06-03
M
a
rk A
b
r
a
h
a
m
Use RNG cor
r
ectly for v-rescale thermostat
commit
|
commitdiff
|
tree
2014-05-30
M
ark Abraham
Fina
l
ize
change
f
rom GMX_CPU_ACCELERATION to GMX_SIMD
commit
|
commitdiff
|
tree
2014-05-22
Mark Abraham
A
d
d fatal e
r
ror
s
for
V
V and tw
i
n-range M
T
S
commit
|
commitdiff
|
tree
2014-05-22
M
a
rk Abrah
a
m
Clarified docs for use of mdrun -ns
t
li
s
t
commit
|
commitdiff
|
tree
2014-05-20
Mark Abraham
Fix co
p
yright years for new
c
ode
commit
|
commitdiff
|
tree
2014-05-20
Mark
A
braham
A
d
d note
a
bou
t
corre
c
t calling of wallcycle
c
ounter
commit
|
commitdiff
|
tree
2014-05-18
Mar
k
Abrah
a
m
Fix indenting of
.
tpr parameter d
u
mp in mdrun log fi
l
e
commit
|
commitdiff
|
tree
2014-05-13
Mark A
b
r
a
ham
Pr
o
hib
i
t AVX_256 with buggy gcc
4
.
6
.
1
commit
|
commitdiff
|
tree
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