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Updated use of compiler specifiers in testing
2017-05-15
Mar
k
Abra
h
am
U
p
d
ated use
of compile
r
s
pecifiers in tes
t
ing
commit
|
commitdiff
|
tree
2017-05-15
Mark Ab
r
a
ham
Upda
t
e clang stat
i
c analyzer sl
a
ve to us
e
versio
n
4
commit
|
commitdiff
|
tree
2017-05-14
Mark Abr
a
ham
Up
d
ate c
l
ang-4
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-05-09
M
ark Ab
r
aham
Cle
a
ned u
p
memory usa
g
e in gmx
t
ra
j
and trjcon
v
commit
|
commitdiff
|
tree
2017-04-22
Mark Ab
r
aham
C
lean up memory
u
sage with oenv and xvg
w
r
i
ting
commit
|
commitdiff
|
tree
2017-04-17
Mark Abraha
m
Minor
c
hange to GPU compatibility reporting ha
n
d
li
n
g
commit
|
commitdiff
|
tree
2017-04-17
M
a
rk Abraham
Propose a post-submi
t
m
a
trix
commit
|
commitdiff
|
tree
2017-04-03
Mark Abraham
Remov
e
do
_
pbc_first
commit
|
commitdiff
|
tree
2017-03-31
Mar
k
Abraham
Me
r
ge branch
re
l
ease-2016
commit
|
commitdiff
|
tree
2017-03-29
Mark Abraham
F
ix
parameter d
e
scription f
o
r dihedral_restr
a
ints
commit
|
commitdiff
|
tree
2017-03-22
Mark Abraham
A
d
d s
e
ct
i
o
n to user guide f
o
r managing simu
l
ations
commit
|
commitdiff
|
tree
2017-03-19
Mark Abr
a
h
a
m
Fix string h
a
n
dling for gcc 7
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
Me
r
ge branch release-2016
commit
|
commitdiff
|
tree
2017-03-14
M
a
rk Abraham
Bumped version to prepare
f
or next patch re
l
ease
commit
|
commitdiff
|
tree
2017-03-13
Mark A
b
raham
V
e
rsion 201
6
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Modernize wr
i
te_in
p
file
commit
|
commitdiff
|
tree
2017-03-13
Mark Abra
h
am
Modernize read_i
n
pfi
l
e
commit
|
commitdiff
|
tree
2017-03-13
Mark
A
braham
Tests for
grompp -f
-
p
o
commit
|
commitdiff
|
tree
2017-03-09
Mark Abra
h
am
R
efacto
r
GPU sel
e
ction
h
and
l
ing
commit
|
commitdiff
|
tree
2017-03-07
Ma
r
k
Abrah
a
m
F
i
x minor i
s
sues
in
gmx traj
-av -af
commit
|
commitdiff
|
tree
2017-03-04
M
ark A
b
raham
Fixe
s
for xl compiler
s
13
.
1
.
5
on Power8
commit
|
commitdiff
|
tree
2017-02-20
M
a
rk Abraham
Add tests for ol
d
gmx energy func
t
ionality
commit
|
commitdiff
|
tree
2017-02-17
M
a
rk Ab
r
ah
a
m
Use gmx::Mu
t
ex and gmx::lock_guard to fix so
m
e issues
commit
|
commitdiff
|
tree
2017-02-15
Mark Abraham
Merge branch
r
elease-5-1 in
t
o release-20
1
6
commit
|
commitdiff
|
tree
2017-02-14
M
ark Abraham
Fi
x
hand
l
ing of pre
v
ious
v
iri
a
ls
commit
|
commitdiff
|
tree
2017-02-14
M
ark Abraham
Re
d
uce compilation
c
oupling
commit
|
commitdiff
|
tree
2017-02-10
M
ark
A
b
r
ah
a
m
Correcte
d
out
p
ut of gmx
do_d
s
sp -sc
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
Comple
t
e
t
he
r
e
m
oval of stateful RNG
commit
|
commitdiff
|
tree
2017-02-09
Mar
k
A
braham
Improved state_change
_
natoms and
used i
t
more
commit
|
commitdiff
|
tree
2017-02-09
Ma
r
k Abraham
Remove
EST_D
I
STR from stat
e
.
h
commit
|
commitdiff
|
tree
2017-02-09
M
a
rk
Abraham
Enh
a
nce warninp
commit
|
commitdiff
|
tree
2017-02-08
M
ark Abraham
Extend
s
eriali
z
a
t
ion to gmx
_
int64
_
t
commit
|
commitdiff
|
tree
2017-02-08
Mark A
b
rah
a
m
Re
m
ove docs for unimp
l
e
mente
d
trjconv -clustercenter
commit
|
commitdiff
|
tree
2017-02-08
Mark A
b
raham
Create applie
d
-f
o
rces module group
commit
|
commitdiff
|
tree
2017-02-08
M
a
rk Abr
a
ham
G
ive MD
M
odu
l
e
s
responsibility f
o
r op
t
ion hand
l
in
g
commit
|
commitdiff
|
tree
2017-02-07
Ma
r
k
A
br
a
ham
Merge branch re
l
ease-2016
commit
|
commitdiff
|
tree
2017-02-07
Mar
k
Abrah
a
m
Bumped version to prepare
f
o
r
n
ext patch
relea
s
e
commit
|
commitdiff
|
tree
2017-02-07
Mark A
b
raham
Introduced system
p
re
p
a
r
at
i
on section t
o
user guide
commit
|
commitdiff
|
tree
2017-02-07
Mar
k
A
b
raham
Version 2016
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mark
Abr
a
ham
Merge branch rel
e
as
e
-5-
1
into release-2016
commit
|
commitdiff
|
tree
2017-02-03
Mark Ab
r
a
ham
Remove typedef stru
c
t i
n
so
m
e mdtypes file
s
commit
|
commitdiff
|
tree
2017-02-02
Mark Abraham
Clarify u
s
e of tau-p
a
nd pcouplt
y
pe
commit
|
commitdiff
|
tree
2017-01-31
Mark
A
braham
Merge
b
ranc
h
rel
e
a
s
e
-5-1 into
r
elease
-
2016
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Fix mu
l
t
i-doma
i
n rer
u
ns
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Don'
t
print inva
l
id performance data
commit
|
commitdiff
|
tree
2017-01-23
Mark Abraham
S
t
opped he
a
der fil
e
s includi
n
g state
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark Abraham
Fixed g
m
x rms
f
-
q -oq
.
commit
|
commitdiff
|
tree
2017-01-21
Mark Abraham
Remove
d
i
nit_state
commit
|
commitdiff
|
tree
2017-01-20
Mark Ab
r
ah
a
m
Ini
t
ial
i
ze GM
X
_*_LIBR
A
R
I
ES cmake variables earlier
commit
|
commitdiff
|
tree
2017-01-14
Mark Abraham
M
e
r
g
e branch release-2016
commit
|
commitdiff
|
tree
2017-01-06
Mark Abraha
m
Do
c
um
e
nt ISe
r
ia
l
iz
e
r c
l
ass
commit
|
commitdiff
|
tree
2017-01-04
Mark A
b
raha
m
Stop trying to us
e
ob
j
dump --reloc on Mac
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
Fix documentatio
n
of
Options
V
isitor
commit
|
commitdiff
|
tree
2017-01-03
Mark Abraha
m
Merge bran
c
h release-5-1 into rele
a
se-2016
commit
|
commitdiff
|
tree
2016-12-20
M
a
rk
A
braham
Corre
c
ted documentat
i
on
a
bo
u
t
eigenvalue handling
commit
|
commitdiff
|
tree
2016-12-20
Mark
A
braham
Improv
e
build
s
ystem fo
r
plugin s
u
pport
commit
|
commitdiff
|
tree
2016-12-20
Mar
k
Abraham
Sa
n
itize some include hea
d
e
r
s
commit
|
commitdiff
|
tree
2016-12-20
Mark Abrah
a
m
Mer
g
e
branch relea
s
e-2016
commit
|
commitdiff
|
tree
2016-12-15
M
a
rk Abraham
Remove
d
suppo
r
t f
o
r multiple entries in mdp
files
commit
|
commitdiff
|
tree
2016-12-15
Ma
r
k
A
braha
m
Handle warninp
correc
t
ly i
n
xpm2ps
and membe
d
commit
|
commitdiff
|
tree
2016-12-14
Mark Abraham
Fix misle
a
d
i
ng
parall
e
lization docs for gmx wham
commit
|
commitdiff
|
tree
2016-12-09
Mark
Abraham
Fix logic of TRR r
e
adi
n
g
commit
|
commitdiff
|
tree
2016-12-09
M
ark Abraham
Remov
e
nxframe from t_trxs
t
atus
commit
|
commitdiff
|
tree
2016-12-08
Mark A
b
raham
Con
s
olidate
f
iles supporting TNG file I/O
commit
|
commitdiff
|
tree
2016-12-07
Ma
r
k Abrah
a
m
M
e
rge branch release-2016
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
Fix
m
e
mory handling in gmx dum
p
of TNG
files
commit
|
commitdiff
|
tree
2016-12-05
Mark Abraham
Remove u
n
due n
a
rrowing
of integ
e
r in TNG reading
commit
|
commitdiff
|
tree
2016-12-01
Mark
A
bra
h
a
m
Add INST
A
L
L
-de
v
to aid people do
i
ng unu
s
u
al bu
i
lds
commit
|
commitdiff
|
tree
2016-12-01
Mark
Abraha
m
Fix minor
trjc
o
nv
bug
commit
|
commitdiff
|
tree
2016-11-23
M
a
r
k
Abra
h
am
Stop including tng_io
_
fwd
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
Enhanced A
r
rayRef
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
Created paddedvector
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
R
emove unimplemented gmx trjcat
-
ve
l
commit
|
commitdiff
|
tree
2016-10-31
M
ark Abraham
M
e
rge
b
ran
c
h relea
s
e-2016
commit
|
commitdiff
|
tree
2016-10-31
Ma
r
k
Abraham
Merge branch r
e
l
e
a
s
e
-20
1
6
commit
|
commitdiff
|
tree
2016-10-28
Mark
A
braham
Bumped version to pr
e
pa
r
e
for next patch release
commit
|
commitdiff
|
tree
2016-10-28
Mark A
b
rah
a
m
Version 2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark Abraham
Updat
e
install guide
commit
|
commitdiff
|
tree
2016-10-21
M
a
rk Abra
h
am
Upda
t
e cpp
c
heck suppor
t
to 1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Mark Abraham
Upgrad
e
c
overage matrix
.
commit
|
commitdiff
|
tree
2016-10-18
Ma
r
k Ab
r
aham
Fi
x
SIMD s
u
gges
t
ion f
o
r
V
M
X
commit
|
commitdiff
|
tree
2016-10-12
Mark
A
braha
m
Make regr
e
ss
i
on
t
ests updater
b
ui
l
d work
fo
r
master
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
Mark Abraha
m
Upda
t
e for FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
Mark Abraham
Mer
g
e "Merge br
a
nch release-2016"
commit
|
commitdiff
|
tree
2016-10-09
Mar
k
Abraham
Merg
e
branch release-2016
commit
|
commitdiff
|
tree
2016-10-07
Mark Abraham
Add script for Jenkins regressiont
e
st update job
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
Merge branch release-5-1 i
n
to rel
e
ase-2
0
16
commit
|
commitdiff
|
tree
2016-10-03
Mark Abrah
a
m
Replace
u
se o
f
d
e
pre
c
a
ted readdir_
r
commit
|
commitdiff
|
tree
2016-09-12
Mark Abraham
Preliminary clean up of NVM
L
code
commit
|
commitdiff
|
tree
2016-09-08
Mark Abrah
a
m
Me
r
ge
b
ranch relea
s
e-5
-
1 into release
-
2016
commit
|
commitdiff
|
tree
2016-09-08
Mark Ab
r
aham
Bumped patch nu
m
ber to prepare for future 5
.
1
.
5 rele
a
s
e
commit
|
commitdiff
|
tree
2016-09-07
Mark
A
braham
V
ersion 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
M
ark Abraham
Removed HIS1 from oplsaa and char
m
m
d
efinitions
commit
|
commitdiff
|
tree
2016-09-07
M
a
rk
Ab
r
aham
Fix LYN charges
in amber03
commit
|
commitdiff
|
tree
2016-09-07
Mark Abrah
a
m
Fix amber03
H
IP ch
a
r
ges
commit
|
commitdiff
|
tree
2016-09-06
M
a
r
k A
b
rah
a
m
Work
a
round
glibc 2
.
23 w
i
th CUDA
commit
|
commitdiff
|
tree
2016-08-27
M
ark Abr
a
ham
Stop usin
g
gmx_fatal in gromp
p
commit
|
commitdiff
|
tree
2016-08-24
Mark
Abraham
R
emove hacks
f
o
r
outdat
e
d Blue
G
ene supp
o
rt
commit
|
commitdiff
|
tree
2016-08-15
M
a
rk Ab
r
ah
a
m
Me
r
ge branch
r
elea
s
e-201
6
commit
|
commitdiff
|
tree
next