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Removed support for multiple entries in mdp files
2016-12-15
Mark Abrah
a
m
Removed s
u
pport for
m
u
ltiple
e
ntrie
s
in mdp files
commit
|
commitdiff
|
tree
2016-12-09
Mark Abraham
Fix logic of TRR reading
commit
|
commitdiff
|
tree
2016-12-09
Mark A
b
ra
h
am
Remove nx
f
rame from
t
_trxstatus
commit
|
commitdiff
|
tree
2016-12-08
Mark Ab
r
aham
Consoli
d
a
te files supporting TN
G
file I
/
O
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
Merge branch release-2016
commit
|
commitdiff
|
tree
2016-12-07
Mark Abra
h
am
Fix
m
em
o
ry h
a
ndling in gmx dump
o
f
TN
G
files
commit
|
commitdiff
|
tree
2016-12-05
Mark Ab
r
a
ham
Remove undue
n
arrowing of integer in TNG re
a
ding
commit
|
commitdiff
|
tree
2016-12-01
Mark Abraha
m
Add INSTALL-dev to
ai
d
people
doing unusual build
s
commit
|
commitdiff
|
tree
2016-12-01
Mark Abrah
a
m
Fix
minor t
r
jconv bug
commit
|
commitdiff
|
tree
2016-11-23
Ma
r
k Abraham
Stop inclu
d
ing tng_io_fwd
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
Enh
a
nced
A
rray
R
ef
commit
|
commitdiff
|
tree
2016-11-16
Mark Abr
a
h
a
m
Crea
t
ed paddedvect
o
r
.
h
commit
|
commitdiff
|
tree
2016-11-16
M
a
rk Abraham
Remove unimplem
e
nted gmx trjcat -v
e
l
commit
|
commitdiff
|
tree
2016-10-31
M
a
r
k
Abraham
Merge branch
r
ele
a
s
e-2016
commit
|
commitdiff
|
tree
2016-10-31
Mark
A
braham
Merge branch
r
ele
a
se-
2
016
commit
|
commitdiff
|
tree
2016-10-28
M
a
rk
Abr
a
ham
Bumped version to pr
e
pare for next
pat
c
h release
commit
|
commitdiff
|
tree
2016-10-28
Mark
Abra
h
am
Version 2
0
16
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark
A
braham
U
p
date in
s
tal
l
gu
i
de
commit
|
commitdiff
|
tree
2016-10-21
M
a
rk
A
b
raham
Update cppcheck suppor
t
to 1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Mark A
b
r
a
h
am
Upg
r
a
d
e
coverag
e
m
atr
i
x
.
commit
|
commitdiff
|
tree
2016-10-18
Mar
k
Abra
h
am
Fix SIMD suggestion for VMX
commit
|
commitdiff
|
tree
2016-10-12
M
a
rk A
b
raham
M
a
ke regressiontests up
d
ater build w
o
r
k
for mas
t
er
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
Mark Ab
r
aham
Update for FFT
W
3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
Mark
A
bra
h
am
Merge "Merge branc
h
release-2
0
16"
commit
|
commitdiff
|
tree
2016-10-09
Mark Abraha
m
M
e
rge branch release-
2
01
6
commit
|
commitdiff
|
tree
2016-10-07
M
a
rk Abraha
m
A
d
d s
c
r
ipt for Jenkins r
e
gr
e
ssiontest
update job
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraha
m
Merge branch relea
s
e-5
-
1
i
n
to releas
e
-2016
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
Replace u
s
e of deprecated readdir_
r
commit
|
commitdiff
|
tree
2016-09-12
Ma
r
k Abraham
Pr
e
li
m
inary clean up of NVM
L
code
commit
|
commitdiff
|
tree
2016-09-08
Mar
k
Abraham
Merge branch r
e
lease-5-1
i
nto release-2016
commit
|
commitdiff
|
tree
2016-09-08
Mark
A
braham
Bumped patch num
b
er to prep
a
re for future 5
.
1
.
5 relea
s
e
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
V
e
r
sion 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraha
m
Removed H
I
S1
f
rom oplsaa and charmm definitions
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix
L
YN charges in am
b
er03
commit
|
commitdiff
|
tree
2016-09-07
Mar
k
Abraham
Fix amber03 HIP ch
a
rges
commit
|
commitdiff
|
tree
2016-09-06
Mark Abraham
Work
a
round g
l
ibc 2
.
23
with CUDA
commit
|
commitdiff
|
tree
2016-08-27
Mark Abra
h
am
Stop using
g
mx_fa
t
al in grompp
commit
|
commitdiff
|
tree
2016-08-24
Mark Abraham
Remove hack
s
for outdated B
l
ueGene support
commit
|
commitdiff
|
tree
2016-08-15
M
ark Abr
a
ham
Me
r
ge branch rele
a
se-2016
commit
|
commitdiff
|
tree
2016-08-15
Mark Abraham
F
ix
e
s f
o
r BG/Q platform file
s
a
n
d
install guide
commit
|
commitdiff
|
tree
2016-08-12
Mark Abraham
Bump number
to p
r
epare for first
p
a
t
c
h
release
commit
|
commitdiff
|
tree
2016-08-04
Mark
Abr
a
ham
Version 2016
commit
|
commitdiff
|
tree
2016-07-29
M
a
r
k
Abraham
Improve ha
n
dlin
g
o
f
gmock an
d
g
c
c
6
commit
|
commitdiff
|
tree
2016-07-29
M
a
rk Abraham
Merge
b
ranch release-5-1 into release-
2
016
commit
|
commitdiff
|
tree
2016-07-28
Mark Abr
a
ham
Add toolchain flags for SSE2 compilat
i
o
n
commit
|
commitdiff
|
tree
2016-07-21
M
ar
k
Abraham
Bumped pa
t
ch number to prepare
for future 5
.
1
.
4 release
commit
|
commitdiff
|
tree
2016-07-14
Ma
r
k Ab
r
aham
F
i
x issues
with using
i
nt for number o
f
s
t
eps
commit
|
commitdiff
|
tree
2016-07-13
M
a
r
k
A
b
raham
Version 5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
M
a
r
k
Abraham
M
e
rge bran
c
h
r
elease-2
0
16
commit
|
commitdiff
|
tree
2016-07-12
Mark A
b
raham
Fix trr magic
n
umb
e
r reading
commit
|
commitdiff
|
tree
2016-07-11
Mark
Abrah
a
m
Fix gmx
md
r
un -m
e
mbed -ntm
p
i
-
1
commit
|
commitdiff
|
tree
2016-07-11
Mark
Abraham
Fix
r
egressio
n
test download m
d
5
s
um
commit
|
commitdiff
|
tree
2016-07-09
Mar
k
Abr
a
ha
m
First 2016 release candi
d
ate
commit
|
commitdiff
|
tree
2016-07-08
Ma
r
k Abraham
Merge
bra
n
ch release-5
-
1
into releas
e
-20
1
6
commit
|
commitdiff
|
tree
2016-07-08
Mark
Abraham
S
i
m
plify
S
IMD compiler flag construction
commit
|
commitdiff
|
tree
2016-07-07
Mark Abraham
Move consist
e
ncy che
c
k
for number of t
h
reads
commit
|
commitdiff
|
tree
2016-07-07
Mark
A
braham
Fix build if libcuda is found bu
t
nvcc is not
commit
|
commitdiff
|
tree
2016-07-04
Mark A
b
r
a
ham
Fix
e
s
for Power
7
big-endian
commit
|
commitdiff
|
tree
2016-07-01
Mark Abrah
a
m
Fi
x
use o
f
_POSI
X
_THRE
A
D
*
commit
|
commitdiff
|
tree
2016-06-30
Mark Abrah
a
m
Merge branch releas
e
-5-1 into release-
2
016
commit
|
commitdiff
|
tree
2016-06-29
Mark Abraham
Ref
a
c
t
o
r
s
y
sco
n
f chec
k
ing
commit
|
commitdiff
|
tree
2016-06-29
Mark Abraham
Work a
r
o
u
n
d gli
b
c
2
.
23 with C
U
DA
commit
|
commitdiff
|
tree
2016-06-28
Mark
A
braham
Update t
o
includ
e
a gcc 6
.
1 co
n
figu
r
ation
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraha
m
Fix
SI
M
D config
u
ration management
commit
|
commitdiff
|
tree
2016-06-27
Ma
r
k
Abr
a
h
a
m
Removed unnecessary i
n
t
e
r-s
i
mul
a
t
ion signa
l
ling
commit
|
commitdiff
|
tree
2016-06-27
Mar
k
Abraham
Me
r
ge branch release-5-1 into r
e
lease-2016
commit
|
commitdiff
|
tree
2016-06-23
Mark
Abraham
M
e
rge branc
h
rele
a
s
e-2016
commit
|
commitdiff
|
tree
2016-06-23
Ma
r
k
Abra
h
am
Allow u
s
e o
f
exter
n
a
l lmfit p
a
ckag
e
commit
|
commitdiff
|
tree
2016-06-23
Mar
k
Abraham
Prevent
u
s
e
of mdrun
-
max
h
-multi
commit
|
commitdiff
|
tree
2016-06-22
Mar
k
Abraham
Fix co
n
figu
r
ation-time cpuinfo co
d
e
commit
|
commitdiff
|
tree
2016-06-22
M
ark Abraham
Merge
b
ranch re
l
e
a
se-5-
1
into
release-2016
commit
|
commitdiff
|
tree
2016-06-22
Mark A
b
raham
Ad
j
ust
a
nd document C++1
1
compiler
t
e
sts
commit
|
commitdiff
|
tree
2016-06-20
Mar
k
Abraham
Updat
e
pre-submit ma
t
rix c
o
ntent
s
commit
|
commitdiff
|
tree
2016-06-19
Mar
k
Abraham
Imp
r
ove docs for
l
inkin
g
s
tdlibc
+
+ needed by icc
commit
|
commitdiff
|
tree
2016-06-17
Mark
Abr
a
ha
m
Merge
b
ranch
r
elease-
5
-1 in
t
o relea
s
e-2
0
1
6
commit
|
commitdiff
|
tree
2016-06-17
Mark Abraha
m
Fix multi-sim + DD
+
si
m
p
le
d
istance restraints
commit
|
commitdiff
|
tree
2016-06-10
M
ark Abraham
F
i
nd py
t
hon
for doc
s
bu
i
ld qui
e
tly
commit
|
commitdiff
|
tree
2016-06-08
Mark A
b
raham
Merge branch release-5-1
in
t
o release-20
1
6
commit
|
commitdiff
|
tree
2016-06-07
Mark
Abraham
Re-add
sup
p
ort
for linki
n
g
a
gainst exter
n
al Tin
y
X
ML-2
commit
|
commitdiff
|
tree
2016-06-07
Mark A
b
raham
Updates to doc
u
mentation
commit
|
commitdiff
|
tree
2016-06-02
Ma
r
k Abr
a
ham
F
ix
compatibility with ol
d
er C
M
ak
e
commit
|
commitdiff
|
tree
2016-06-02
M
a
rk Abr
a
ham
M
a
ke more CMake v
a
r
iables advanced
commit
|
commitdiff
|
tree
2016-06-02
M
ark Abraham
Ignore stderr when detecting SIMD and
b
uild info
commit
|
commitdiff
|
tree
2016-05-31
M
ark
A
braham
Fix reference to vmdio
.
c to
b
e vmdio
.
cpp
commit
|
commitdiff
|
tree
2016-05-31
Mark Abraham
Se
c
o
n
d 20
1
6 beta r
e
l
ease
commit
|
commitdiff
|
tree
2016-05-29
Mark Abraham
S
implif
i
ed
a
nd updated OpenCL compilation
commit
|
commitdiff
|
tree
2016-05-27
Mark
A
b
r
aham
Fix read
i
n
g
o
f b
o
nded tables
commit
|
commitdiff
|
tree
2016-05-26
Mar
k
Abraham
New quot
e
commit
|
commitdiff
|
tree
2016-05-26
Mar
k
Abraham
Merge bran
c
h release-2016
commit
|
commitdiff
|
tree
2016-05-12
Mark Abraham
Me
r
ge
bra
n
ch
r
elease-5-1 into r
e
lease-2016
commit
|
commitdiff
|
tree
2016-05-12
Mark Abraham
GROMAC
S
2016
b
e
ta1
r
e
lease
commit
|
commitdiff
|
tree
2016-05-10
Ma
r
k
A
braha
m
Bump
c
lang static a
n
alyzer to ver
s
ion 3
.
8
commit
|
commitdiff
|
tree
2016-05-10
M
a
r
k
Abraham
Minor update
to sphin
x
de
p
en
d
en
c
y
commit
|
commitdiff
|
tree
2016-05-10
Mark Ab
r
aham
Faci
l
itate
lin
k
ing w
i
th libcxx
commit
|
commitdiff
|
tree
2016-05-08
Mark Abraha
m
Fi
x
es for cla
n
g 3
.
7 on PowerPC
commit
|
commitdiff
|
tree
2016-05-08
Mar
k
Abra
h
am
Fix
c
onsta
n
ts, units and conversion factor
s
commit
|
commitdiff
|
tree
2016-04-27
Mark Abraham
Merge
b
r
anch r
e
lea
s
e
-
5-1
commit
|
commitdiff
|
tree
2016-04-19
Mark Abrah
a
m
Replace libxml2 wi
t
h tinyxm
l
2 for use in test code
commit
|
commitdiff
|
tree
2016-04-19
Mark Abrah
a
m
Fi
x
parse_digits_from_s
t
r
i
ng
commit
|
commitdiff
|
tree
2016-04-19
Mark Abraham
Fix mdp
label
generation
commit
|
commitdiff
|
tree
next