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Improved state_change_natoms and used it more
2017-02-09
Mark Abraham
Improve
d
s
ta
t
e
_change_na
t
om
s
an
d
used it m
o
re
commit
|
commitdiff
|
tree
2017-02-09
Mar
k
Abraham
R
em
o
ve EST_DISTR from state
.
h
commit
|
commitdiff
|
tree
2017-02-09
M
ark Abraham
Enhance warninp
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Extend seriali
z
ation
to gm
x
_int64_t
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Crea
t
e applied-fo
r
ces modu
l
e gr
o
up
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Give MDModules
res
p
onsibility for option
hand
l
ing
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Merge branch rel
e
ase-2016
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
B
u
mped v
e
rsio
n
to prepare for next pat
c
h rele
a
se
commit
|
commitdiff
|
tree
2017-02-07
Mark A
b
raham
Introd
u
c
ed system prepar
a
tion se
c
tion to user guid
e
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
V
e
rsion 20
1
6
.
2
commit
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commitdiff
|
tree
2017-02-05
M
a
rk
A
brah
a
m
Merge b
r
anc
h
release-5-1 i
n
to releas
e
-2016
commit
|
commitdiff
|
tree
2017-02-03
Mark Abraham
Remove typedef struct in some
m
d
ty
p
es files
commit
|
commitdiff
|
tree
2017-02-02
M
a
r
k
Ab
r
a
h
am
Clarify use of
tau-p and pcoupltype
commit
|
commitdiff
|
tree
2017-01-31
Ma
r
k Abraham
Merge bran
c
h r
e
leas
e
-5-1 into release-2
0
16
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraha
m
Fix multi-domain reruns
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Don't print invalid
p
erformance data
commit
|
commitdiff
|
tree
2017-01-23
Ma
r
k Abraham
S
t
opped
h
eader files incl
u
ding
stat
e
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark Abraham
F
i
xed
g
mx rmsf -q -oq
.
commit
|
commitdiff
|
tree
2017-01-21
Mark Abraham
Removed init_
s
tat
e
commit
|
commitdiff
|
tree
2017-01-20
Mark Abraham
Initialize GM
X
_*_L
I
B
RARIE
S
cmake variabl
e
s e
a
r
lier
commit
|
commitdiff
|
tree
2017-01-14
Mark Abraham
Mer
g
e branch
r
elease-
2
016
commit
|
commitdiff
|
tree
2017-01-06
Mark Abra
h
am
Doc
u
ment ISe
r
ializ
e
r cla
s
s
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
Stop t
r
ying
to use objdump --reloc on Mac
commit
|
commitdiff
|
tree
2017-01-04
Ma
r
k Abraham
Fix documen
t
ation o
f
OptionsVisitor
commit
|
commitdiff
|
tree
2017-01-03
Mark Abrah
a
m
M
e
rg
e
branch release-
5
-1
i
nto release-2016
commit
|
commitdiff
|
tree
2016-12-20
Ma
r
k Ab
r
aham
Corrected doc
u
menta
t
ion about eige
n
value
h
andli
n
g
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraha
m
Improve build s
y
s
t
em for plugin supp
o
rt
commit
|
commitdiff
|
tree
2016-12-20
Mar
k
Abraham
Saniti
z
e some include h
e
aders
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Merg
e
branch release-2016
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraham
Removed support f
o
r
m
ultiple entries in
m
dp file
s
commit
|
commitdiff
|
tree
2016-12-15
Mark
Abraham
Handle w
a
rninp
co
r
rectl
y
i
n
xpm2ps
and membed
commit
|
commitdiff
|
tree
2016-12-14
Mark Abraham
Fix misleading paralleliza
t
ion
d
ocs for gmx wham
commit
|
commitdiff
|
tree
2016-12-09
Mark Abraham
Fix log
i
c of TRR reading
commit
|
commitdiff
|
tree
2016-12-09
M
ark Abraham
Remove
n
xframe from t_
t
rxstat
u
s
commit
|
commitdiff
|
tree
2016-12-08
Mar
k
Abr
a
ham
Conso
l
idate files suppor
t
ing TNG file I/O
commit
|
commitdiff
|
tree
2016-12-07
Mark A
b
raham
Merge branch releas
e
-20
1
6
commit
|
commitdiff
|
tree
2016-12-07
Mark
A
braham
Fix memo
r
y
handlin
g
i
n
gm
x
dump
o
f T
N
G
f
ile
s
commit
|
commitdiff
|
tree
2016-12-05
Ma
r
k Abra
h
am
Remove undue narrowing of in
t
eger in TNG
r
e
adi
n
g
commit
|
commitdiff
|
tree
2016-12-01
Mark Abraha
m
A
d
d INSTALL-dev to aid people
d
o
ing unusu
a
l bui
l
d
s
commit
|
commitdiff
|
tree
2016-12-01
Ma
r
k
A
braham
Fix mi
n
o
r
trj
c
onv bug
commit
|
commitdiff
|
tree
2016-11-23
Mark Abraham
St
o
p
i
n
cluding tng_io
_
fw
d
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
E
nhance
d
A
rrayRef
commit
|
commitdiff
|
tree
2016-11-16
Mark
A
b
rah
a
m
Created
paddedvector
.
h
commit
|
commitdiff
|
tree
2016-11-16
M
a
rk Ab
r
aham
Remove unim
p
lemented gmx trjcat -
v
el
commit
|
commitdiff
|
tree
2016-10-31
Mark Abraha
m
M
e
rge br
a
nch release-2016
commit
|
commitdiff
|
tree
2016-10-31
Mark Abraham
Merg
e
br
a
nch
r
elease-2016
commit
|
commitdiff
|
tree
2016-10-28
Mark Abrah
a
m
Bumped
versi
o
n to prepare for next
pa
t
ch r
e
lease
commit
|
commitdiff
|
tree
2016-10-28
Ma
r
k
A
bra
h
am
Version
2
016
.
1
commit
|
commitdiff
|
tree
2016-10-21
M
ark Abra
h
a
m
Update install guide
commit
|
commitdiff
|
tree
2016-10-21
Mark
A
braham
Up
d
ate cppcheck supp
o
rt
to 1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Mark Abraha
m
Upgrade cover
a
ge ma
t
rix
.
commit
|
commitdiff
|
tree
2016-10-18
Mark Abraham
Fix
S
I
M
D suggestion
f
o
r
VMX
commit
|
commitdiff
|
tree
2016-10-12
M
ark Abra
h
am
Make regressi
o
ntests updater build work for master
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
M
ark Abraham
U
pdate for
FFT
W
3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
Mark Abraham
Merge "M
e
rge branch r
e
lease-2016"
commit
|
commitdiff
|
tree
2016-10-09
M
ark Abraham
Merge br
a
nc
h
re
l
ease-2016
commit
|
commitdiff
|
tree
2016-10-07
Ma
r
k A
b
raham
Add scrip
t
for Jenkins regressiontest upd
a
te jo
b
commit
|
commitdiff
|
tree
2016-10-03
Mar
k
Abraha
m
Merge b
r
anch
r
elease
-
5-1
i
nto re
l
ease-2016
commit
|
commitdiff
|
tree
2016-10-03
Mark Abra
h
am
Replace use of deprecated readdir_r
commit
|
commitdiff
|
tree
2016-09-12
Mark Abraham
Preliminar
y
cle
a
n up
o
f NVML code
commit
|
commitdiff
|
tree
2016-09-08
Mark A
b
raha
m
M
erge branch release-5-
1
into r
e
l
e
as
e
-2016
commit
|
commitdiff
|
tree
2016-09-08
M
a
rk Abraham
B
u
mped pat
c
h numbe
r
to
p
repare f
o
r future 5
.
1
.
5
re
l
e
a
se
commit
|
commitdiff
|
tree
2016-09-07
Mark A
b
raham
Version
5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark
A
br
a
ham
Removed HIS1 fr
o
m op
l
saa and
c
harmm defini
t
ions
commit
|
commitdiff
|
tree
2016-09-07
M
a
rk Abr
a
ham
Fix LYN
c
h
arges in amber
0
3
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix a
m
ber03 HIP charges
commit
|
commitdiff
|
tree
2016-09-06
Mark Abraham
Work
a
round
g
libc 2
.
23
w
i
t
h CUDA
commit
|
commitdiff
|
tree
2016-08-27
Ma
r
k Abraham
Stop u
s
ing gmx_fatal in grompp
commit
|
commitdiff
|
tree
2016-08-24
Mar
k
Abraham
Remove h
a
cks for outdated BlueGe
n
e s
u
pport
commit
|
commitdiff
|
tree
2016-08-15
Ma
r
k Abraham
M
e
rge branch release-2
0
1
6
commit
|
commitdiff
|
tree
2016-08-15
Mark Ab
r
a
h
am
F
ixes f
o
r BG/Q platform files and i
n
stall guid
e
commit
|
commitdiff
|
tree
2016-08-12
Mark A
b
raham
B
ump
n
umber t
o
prepare for fi
r
st
p
atch releas
e
commit
|
commitdiff
|
tree
2016-08-04
Mar
k
Abra
h
am
Version 2016
commit
|
commitdiff
|
tree
2016-07-29
Ma
r
k Abraham
Impro
v
e handling of g
m
ock and
g
cc6
commit
|
commitdiff
|
tree
2016-07-29
Mark Abraham
Merge branch
r
elease-5-1
i
nto
r
elease-20
1
6
commit
|
commitdiff
|
tree
2016-07-28
Mark
A
brah
a
m
Add
tool
c
hain flags for SSE
2
c
om
p
i
l
ation
commit
|
commitdiff
|
tree
2016-07-21
Mark Abraham
Bumped
patch number
to prepare
f
or
future 5
.
1
.
4
r
elease
commit
|
commitdiff
|
tree
2016-07-14
Mark
A
braham
F
i
x iss
u
es with usi
n
g int
f
o
r
number of steps
commit
|
commitdiff
|
tree
2016-07-13
Mark
Abraham
Version 5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
Mark
A
braha
m
Merge
b
r
a
nch release-2016
commit
|
commitdiff
|
tree
2016-07-12
Mark Ab
r
aham
Fix trr magic number reading
commit
|
commitdiff
|
tree
2016-07-11
Mark Abraham
Fix
gmx m
d
r
u
n -mem
b
ed -ntmp
i
-1
commit
|
commitdiff
|
tree
2016-07-11
M
ark
A
bra
h
am
Fix regr
e
ssiontes
t
download md5sum
commit
|
commitdiff
|
tree
2016-07-09
Mark Abraham
Fi
r
st 2016 release candidate
commit
|
commitdiff
|
tree
2016-07-08
M
a
rk Abra
h
am
M
e
rge branch rel
e
ase-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-07-08
Mar
k
Abraham
Simplify
S
IMD c
o
mpiler f
l
ag construct
i
on
commit
|
commitdiff
|
tree
2016-07-07
Mark Abraham
Move
c
onsistency c
h
eck for num
b
er of th
r
eads
commit
|
commitdiff
|
tree
2016-07-07
Mark A
b
raham
Fix buil
d
if
l
ibcuda
is found but nvcc is not
commit
|
commitdiff
|
tree
2016-07-04
Mark Abraham
F
ix
e
s for
P
ower7 big-endian
commit
|
commitdiff
|
tree
2016-07-01
Mark Abraham
Fix us
e
of
_
P
O
SIX_THREAD*
commit
|
commitdiff
|
tree
2016-06-30
M
a
rk A
b
raham
Merge
bra
n
ch
r
el
e
ase-
5
-1 into r
e
lease-2016
commit
|
commitdiff
|
tree
2016-06-29
Mark
A
bra
h
am
Re
f
actor sy
s
conf c
h
ecking
commit
|
commitdiff
|
tree
2016-06-29
Mark Abraham
Work a
r
o
u
nd glibc 2
.
2
3 with
C
U
DA
commit
|
commitdiff
|
tree
2016-06-28
Mark
A
braham
Update
t
o
i
nclude
a gcc 6
.
1 con
f
i
gu
r
ation
commit
|
commitdiff
|
tree
2016-06-28
Mark
A
braham
Fix
S
I
M
D configuration m
a
nagement
commit
|
commitdiff
|
tree
2016-06-27
M
ar
k
Abraham
R
emoved un
n
ecessary int
e
r-simulation signa
l
l
ing
commit
|
commitdiff
|
tree
2016-06-27
Ma
r
k Abra
h
am
Me
r
ge branc
h
rele
a
se-5-1
i
nto r
e
lease-2016
commit
|
commitdiff
|
tree
2016-06-23
Mar
k
Abraham
Merge br
a
n
c
h rel
e
a
se-2016
commit
|
commitdiff
|
tree
2016-06-23
Mark A
b
raham
Al
l
ow u
s
e of external lmfit package
commit
|
commitdiff
|
tree
2016-06-23
Mark Abraham
Prevent
use of m
d
r
u
n
-m
a
xh -
m
ulti
commit
|
commitdiff
|
tree
next