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New quote
2017-05-31
Mark
A
bra
h
am
New quote
commit
|
commitdiff
|
tree
2017-05-27
Mark Abraham
Quotes from Gottingen worksho
p
commit
|
commitdiff
|
tree
2017-05-15
Mar
k
Abraha
m
Updat
e
d u
s
e o
f
compile
r
specifiers
i
n testing
commit
|
commitdiff
|
tree
2017-05-15
M
ark Abraham
Update
clang static
a
nalyzer slav
e
to use version 4
commit
|
commitdiff
|
tree
2017-05-14
Mark Abrah
a
m
Update clang-
4
commit
|
commitdiff
|
tree
2017-05-09
Mar
k
Abraham
Merge branch r
e
lease-2016
commit
|
commitdiff
|
tree
2017-05-09
Mar
k
A
b
r
aham
Cleaned up mem
o
r
y usage i
n
gmx traj
a
nd trj
c
onv
commit
|
commitdiff
|
tree
2017-04-22
Mark Abraham
Clean up
m
e
mory u
s
age
with
oenv and x
v
g writing
commit
|
commitdiff
|
tree
2017-04-17
M
ark Abr
a
ham
Mi
n
or change to GPU compatibili
t
y r
e
porting hand
l
ing
commit
|
commitdiff
|
tree
2017-04-17
Mark Ab
r
aha
m
Propose a post-submit matri
x
commit
|
commitdiff
|
tree
2017-04-03
M
a
rk Abraha
m
Remove do_pbc_first
commit
|
commitdiff
|
tree
2017-03-31
Mark Abraha
m
Me
r
ge bra
n
ch release-2016
commit
|
commitdiff
|
tree
2017-03-29
Mark A
b
raham
F
i
x parameter
d
escription for di
h
edral_re
s
tr
a
ints
commit
|
commitdiff
|
tree
2017-03-22
M
a
rk Abraham
Add section to user guide f
o
r
managing simulations
commit
|
commitdiff
|
tree
2017-03-19
M
ark Abra
h
am
Fix string
handling for
g
c
c
7
commit
|
commitdiff
|
tree
2017-03-14
Ma
r
k Abraha
m
Merge b
r
a
nch
r
elease-2016
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
Bumped versi
o
n to prep
a
re for ne
x
t pat
c
h release
commit
|
commitdiff
|
tree
2017-03-13
Mark Abr
a
ham
Version 20
1
6
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Modern
i
ze writ
e
_inp
f
ile
commit
|
commitdiff
|
tree
2017-03-13
Mark Abrah
a
m
Mode
r
nize read_i
n
pfil
e
commit
|
commitdiff
|
tree
2017-03-13
Mark Abrah
a
m
Tests for grompp -f -po
commit
|
commitdiff
|
tree
2017-03-09
Ma
r
k Abr
a
ham
Refa
c
tor
G
PU se
l
e
ct
i
on handling
commit
|
commitdiff
|
tree
2017-03-07
Mark Ab
r
ah
a
m
Fix minor issues in gmx traj -av -
a
f
commit
|
commitdiff
|
tree
2017-03-04
Mar
k
Abraha
m
Fixes
for xl compilers
1
3
.
1
.
5
o
n
P
ow
e
r8
commit
|
commitdiff
|
tree
2017-02-20
Ma
r
k Abr
a
ham
Add tests for old gmx
energy func
t
io
n
ality
commit
|
commitdiff
|
tree
2017-02-17
Mark Abraham
Use gmx::Mutex and
gmx::lock_guard
t
o
fix some issues
commit
|
commitdiff
|
tree
2017-02-15
Mark Abr
a
h
a
m
Merge
b
ranc
h
release-
5
-1 in
t
o rel
e
a
s
e
-
2016
commit
|
commitdiff
|
tree
2017-02-14
Mark Abr
a
ham
Fix
handling of previous
virials
commit
|
commitdiff
|
tree
2017-02-14
M
ark Abraham
Re
d
uce compi
l
ation coupling
commit
|
commitdiff
|
tree
2017-02-10
Mark Abrah
a
m
Corrected output of gmx do_dss
p
-
sc
commit
|
commitdiff
|
tree
2017-02-09
Ma
r
k Abraham
C
o
mplete the
removal of statef
u
l
R
NG
commit
|
commitdiff
|
tree
2017-02-09
Mark Abr
a
ham
Imp
r
oved
sta
t
e
_change_natoms
and used
i
t more
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
Remov
e
EST_DISTR fr
o
m
s
tate
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
Enhance
warninp
commit
|
commitdiff
|
tree
2017-02-08
Mark
Abrah
a
m
Extend ser
i
alization to
g
mx
_
int64_t
commit
|
commitdiff
|
tree
2017-02-08
Ma
r
k Abraham
Remove docs for unimp
l
e
m
ented
trjco
n
v -clustercenter
commit
|
commitdiff
|
tree
2017-02-08
Mark A
b
r
a
ham
Create ap
p
lied
-
forces module group
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Giv
e
M
DModules r
e
sponsibility for o
p
tio
n
han
d
ling
commit
|
commitdiff
|
tree
2017-02-07
Mark A
b
raham
Merge branch re
l
e
ase-2016
commit
|
commitdiff
|
tree
2017-02-07
Mark Abrah
a
m
Bumpe
d
version to pre
p
are for nex
t
patch
re
l
eas
e
commit
|
commitdiff
|
tree
2017-02-07
Ma
r
k A
b
rah
a
m
I
ntroduced system preparation sectio
n
to user guide
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Version 201
6
.
2
commit
|
commitdiff
|
tree
2017-02-05
M
ark
A
braham
Merg
e
br
a
nch
r
ele
a
se-5-
1
into releas
e
-2016
commit
|
commitdiff
|
tree
2017-02-03
Mark Abr
a
h
a
m
R
emove
t
ypedef stru
c
t
in som
e
mdtypes
f
iles
commit
|
commitdiff
|
tree
2017-02-02
M
a
r
k A
b
r
a
h
am
Clarify use of tau-
p
and pcoup
l
type
commit
|
commitdiff
|
tree
2017-01-31
Mark
A
b
r
a
h
am
Me
r
ge
branch rele
a
s
e-5-1 into release-20
1
6
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Fix
m
ulti-domain rerun
s
commit
|
commitdiff
|
tree
2017-01-30
M
ark
A
brah
a
m
D
o
n'
t
p
r
int invalid performanc
e
data
commit
|
commitdiff
|
tree
2017-01-23
Ma
r
k Abraham
S
t
o
pp
e
d
he
a
der files incl
u
d
ing sta
t
e
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark Abraham
F
ix
e
d
g
mx r
m
s
f
-q -oq
.
commit
|
commitdiff
|
tree
2017-01-21
Mar
k
Abraham
Removed ini
t
_state
commit
|
commitdiff
|
tree
2017-01-20
Mark Abrah
a
m
Initialize GMX_*_
L
I
BRARIES cmake variables earlier
commit
|
commitdiff
|
tree
2017-01-14
M
a
r
k
Abraham
Merge b
r
a
n
ch r
e
lease-201
6
commit
|
commitdiff
|
tree
2017-01-06
Mark Abraham
Documen
t
ISerializer class
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
Stop
t
rying to use ob
j
dump
-
-
reloc on Mac
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
F
i
x
d
ocumentation o
f
OptionsVisit
o
r
commit
|
commitdiff
|
tree
2017-01-03
Mar
k
Abrah
a
m
Merge bra
n
c
h release-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Corr
e
cte
d
documentat
i
o
n
a
bout
e
igenvalue
h
a
n
dli
n
g
commit
|
commitdiff
|
tree
2016-12-20
Mark
A
braham
Im
p
rove build system for
plugin support
commit
|
commitdiff
|
tree
2016-12-20
Ma
r
k
A
braham
Sanit
i
ze some in
c
lude headers
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Mer
g
e bra
n
ch relea
s
e-
2
016
commit
|
commitdiff
|
tree
2016-12-15
Mark Abrah
a
m
Remo
v
ed s
u
p
p
ort f
o
r mul
t
iple entries i
n
mdp files
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraham
Handle warninp correct
l
y in xpm2ps a
n
d membed
commit
|
commitdiff
|
tree
2016-12-14
Mar
k
Abra
h
am
Fix
m
isleading p
a
r
al
l
elization
d
ocs for
g
mx
w
ha
m
commit
|
commitdiff
|
tree
2016-12-09
Mark A
b
rah
a
m
Fix logic of
TRR
r
eading
commit
|
commitdiff
|
tree
2016-12-09
Mark Abraham
Remo
v
e nxframe from t_trxstatus
commit
|
commitdiff
|
tree
2016-12-08
Mark Abraham
Consolidate files s
u
pporting TNG file I/O
commit
|
commitdiff
|
tree
2016-12-07
Mark
A
b
r
aham
Merge branc
h
release-2016
commit
|
commitdiff
|
tree
2016-12-07
M
ark Abr
a
ha
m
F
ix memory
h
andlin
g
in gmx dump of TNG files
commit
|
commitdiff
|
tree
2016-12-05
Mark Abrah
a
m
R
e
mo
v
e undu
e
n
arrowing of integer i
n
TNG reading
commit
|
commitdiff
|
tree
2016-12-01
M
a
rk Abr
a
ham
Add INSTALL
-
dev to a
i
d
p
e
ople doing unu
s
ual builds
commit
|
commitdiff
|
tree
2016-12-01
Mark Abraham
Fi
x
min
o
r
t
r
jconv bug
commit
|
commitdiff
|
tree
2016-11-23
Mark Abraham
Stop
including tng_i
o
_f
w
d
.
h
commit
|
commitdiff
|
tree
2016-11-16
Ma
r
k
A
br
a
h
a
m
En
h
anced
ArrayRef
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
Created paddedvector
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
R
emo
v
e
u
nimpleme
n
ted gmx
t
rjcat
-
vel
commit
|
commitdiff
|
tree
2016-10-31
Mark Abraham
M
e
rge branch r
e
lease-20
1
6
commit
|
commitdiff
|
tree
2016-10-31
Mark
A
braha
m
M
e
rge br
a
nch re
l
ea
s
e-2016
commit
|
commitdiff
|
tree
2016-10-28
M
a
r
k Abr
a
ham
Bump
e
d version to
p
repare
for next
p
a
tch rele
a
se
commit
|
commitdiff
|
tree
2016-10-28
M
ark Abr
a
ham
Versio
n
2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
M
ark
Abraha
m
U
p
date i
n
sta
l
l
g
uide
commit
|
commitdiff
|
tree
2016-10-21
M
ark
Abraham
Update cppcheck suppo
r
t to 1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
M
ar
k
Abraham
Upgrade coverag
e
matrix
.
commit
|
commitdiff
|
tree
2016-10-18
Mark
Abraha
m
Fix SIMD sug
g
estion
f
or VMX
commit
|
commitdiff
|
tree
2016-10-12
Mark Abraham
Make regress
i
ontests
up
d
ater build work
for m
a
ster
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
Mark Abraham
Updat
e
for
FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
Mar
k
Abraham
Merge
"Merg
e
b
r
a
nch release-20
1
6"
commit
|
commitdiff
|
tree
2016-10-09
Mark Abraham
Merg
e
branch release-201
6
commit
|
commitdiff
|
tree
2016-10-07
M
a
r
k
A
b
r
a
ham
Add s
c
r
i
p
t
for Jen
k
i
n
s r
e
gressi
o
ntest update job
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
Merge
branc
h
rel
e
ase-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
Replace use of deprecated readdir_r
commit
|
commitdiff
|
tree
2016-09-12
M
a
rk Abraham
P
r
el
i
minar
y
clean up of NVML code
commit
|
commitdiff
|
tree
2016-09-08
M
ark Abraha
m
Merg
e
b
ranch release-5-1 into release
-
2016
commit
|
commitdiff
|
tree
2016-09-08
Mark Abra
h
am
Bumped patch number to p
r
epare
for future 5
.
1
.
5 re
l
ea
s
e
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Version 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Ma
r
k Ab
r
aham
Remove
d
HIS
1
fr
o
m o
p
lsaa and ch
a
rmm def
i
ni
t
i
ons
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix LYN
c
harges in
amber03
commit
|
commitdiff
|
tree
2016-09-07
Mar
k
A
braham
Fix
amber03 HIP charges
commit
|
commitdiff
|
tree
2016-09-06
M
ark A
b
raham
Wo
r
k aro
u
nd glibc
2
.
23
w
ith CUDA
commit
|
commitdiff
|
tree
2016-08-27
M
a
r
k Abraham
Stop using gm
x
_fatal in grompp
commit
|
commitdiff
|
tree
next