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Re-add support for linking against external TinyXML-2
2016-06-07
Mark Abr
a
ham
R
e
-
add support
f
or linking ag
a
ins
t
ext
e
r
n
a
l TinyXML-2
commit
|
commitdiff
|
tree
2016-06-07
Ma
r
k A
b
raham
U
p
dates to document
a
ti
o
n
commit
|
commitdiff
|
tree
2016-06-02
Mark
A
braham
Fi
x
co
m
patibili
t
y wi
t
h olde
r
CMake
commit
|
commitdiff
|
tree
2016-05-31
Mark Abraha
m
F
ix refer
e
nce to vmdio
.
c to
b
e
vmdio
.
cpp
commit
|
commitdiff
|
tree
2016-05-31
Mark Ab
r
aham
Second 2016 beta
r
elease
commit
|
commitdiff
|
tree
2016-05-29
Mark Abr
a
ha
m
Si
m
plified an
d
u
p
dated OpenCL compilatio
n
commit
|
commitdiff
|
tree
2016-05-26
Ma
r
k Abr
a
ham
New
quote
commit
|
commitdiff
|
tree
2016-05-12
M
ark Abraham
Merg
e
bra
n
ch release-5-1
into release-2016
commit
|
commitdiff
|
tree
2016-05-12
Mark A
b
raham
GROMACS 2016 be
t
a1 rel
e
ase
commit
|
commitdiff
|
tree
2016-05-10
Mark Abr
a
ham
Bu
m
p
clang static analyze
r
to versi
o
n 3
.
8
commit
|
commitdiff
|
tree
2016-05-10
Mark Abraham
Minor
upd
a
te to sphinx depe
n
denc
y
commit
|
commitdiff
|
tree
2016-05-10
Ma
r
k Abraha
m
Facil
i
tate
l
inking
with li
b
cxx
commit
|
commitdiff
|
tree
2016-05-08
Mar
k
Abraham
F
i
xes for clang 3
.
7 on Po
w
erPC
commit
|
commitdiff
|
tree
2016-05-08
M
a
rk Abraham
Fix
c
onstants, units and conversion factors
commit
|
commitdiff
|
tree
2016-04-27
Mark Abraham
Merge bran
c
h
release-5-1
commit
|
commitdiff
|
tree
2016-04-19
Ma
r
k
Abraham
R
ep
l
a
c
e libxm
l
2 wit
h
t
i
nyxml2 for use i
n
test code
commit
|
commitdiff
|
tree
2016-04-19
M
a
rk Abraham
Fix parse_digits_from
_
strin
g
commit
|
commitdiff
|
tree
2016-04-19
Mark Abraham
Fix mdp label ge
n
e
r
ation
commit
|
commitdiff
|
tree
2016-04-18
M
ar
k
Abrah
a
m
R
e
d
uce
c
ompilati
o
n
c
oup
l
ing of SIM
D
module
commit
|
commitdiff
|
tree
2016-04-14
Ma
r
k Abraham
Merge
b
ranch relea
s
e-5-1
commit
|
commitdiff
|
tree
2016-04-01
Mar
k
Abraham
Reve
r
t
to treating
-1 as "generate a
seed" in
.
mdp
commit
|
commitdiff
|
tree
2016-03-31
M
a
rk
A
braham
Add test and improved do
c
s for cu
s
tom
c
h
eckSequence
commit
|
commitdiff
|
tree
2016-03-30
Mark Abraham
Clean
u
p vsite code
commit
|
commitdiff
|
tree
2016-03-19
Ma
r
k A
b
r
aham
Add m
o
re const corre
c
tne
s
s
commit
|
commitdiff
|
tree
2016-03-19
Mark Ab
r
aha
m
Fix warning fr
o
m G
C
C 6
commit
|
commitdiff
|
tree
2016-03-19
Mar
k
Abra
h
a
m
Improved some
m
drun integration
t
es
t
s
commit
|
commitdiff
|
tree
2016-03-18
Mark
Abraham
Warn abo
u
t OpenMPI 1
.
8
.
6
commit
|
commitdiff
|
tree
2016-03-18
Mark Abr
a
ham
Fi
x
t
y
po
i
n
F
ourier
dihedral
e
quation
commit
|
commitdiff
|
tree
2016-03-15
Ma
r
k
Abr
a
ham
Merge branc
h
release-5-0 in
t
o
release
-
5-1
commit
|
commitdiff
|
tree
2016-03-12
Mark Abr
a
ham
Update use of
i
s
n
a
n in linearal
g
ebra
commit
|
commitdiff
|
tree
2016-03-12
M
a
rk Abraham
Find hw
l
oc quietly
if it's already
been found
commit
|
commitdiff
|
tree
2016-03-11
Mark
A
braha
m
Add
infrastructure for tests to compare mdruns
commit
|
commitdiff
|
tree
2016-03-11
Mark
Abraha
m
Merge branc
h
releas
e
-5-0 into release-5-1
commit
|
commitdiff
|
tree
2016-03-10
Mark Abrah
a
m
Require 201
5
v
e
rsion for MSVC
commit
|
commitdiff
|
tree
2016-03-05
Mark
Ab
r
a
ham
A
d
d SETTLE un
i
t tests
commit
|
commitdiff
|
tree
2016-02-26
Mark
Abraha
m
Sep
a
rated test of CDA
T
A end tag handling f
r
om others
commit
|
commitdiff
|
tree
2016-02-23
Mark Abraham
Repla
c
e cpp
c
heck suppress
i
on in checkpoint code
commit
|
commitdiff
|
tree
2016-02-22
M
a
r
k Abr
a
ham
Move init of spec
i
ali
z
ed d
y
namica
l
algorithm
s
t
o do_
m
d
commit
|
commitdiff
|
tree
2016-02-21
Mark Abraham
S
e
parate
t
a
ble
c
ons
t
ruction
commit
|
commitdiff
|
tree
2016-02-19
M
ark Abra
h
a
m
Merg
e
branch re
l
ea
s
e-5-1
commit
|
commitdiff
|
tree
2016-02-19
Mark Abraham
Make both ftp a
n
d ht
t
p links for so
u
rce download
commit
|
commitdiff
|
tree
2016-02-18
Mark
Abraham
Upd
a
ted
r
eferenc
e
manual text about PME tuni
n
g
commit
|
commitdiff
|
tree
2016-02-16
Mark Abraham
Merge bran
c
h releas
e
-
5-0
i
nt
o
r
e
lease-5-1
commit
|
commitdiff
|
tree
2016-02-14
Ma
r
k Abra
h
am
Re-
g
enerate
d
eps for
f
i
gure 4
.
8
commit
|
commitdiff
|
tree
2016-02-10
M
a
rk Abra
h
am
Re-r
e
move *_stochd_s
t
ate function decla
r
ations
commit
|
commitdiff
|
tree
2016-02-10
M
a
rk Abrah
a
m
I
m
proved update_c
o
o
r
ds hand
l
i
n
g of xprime
commit
|
commitdiff
|
tree
2016-02-10
Mark Abraha
m
Fix
i
s
sues to update c
p
p
c
heck
s
upp
o
rt
t
o 1
.
72
commit
|
commitdiff
|
tree
2016-02-08
M
a
rk
A
braham
Merge branch release-5-0 in
t
o
r
e
l
ease-5-1
commit
|
commitdiff
|
tree
2016-02-06
Mark Abrah
a
m
Mer
g
e bran
c
h
r
e
lea
s
e-5-1
commit
|
commitdiff
|
tree
2016-02-03
Mark Ab
r
aham
Bumped
p
a
t
ch num
b
er
t
o pr
e
par
e
for
future 5
.
1
.
3 releas
e
commit
|
commitdiff
|
tree
2016-02-03
M
a
rk Abraham
Version 5
.
1
.
2
commit
|
commitdiff
|
tree
2016-02-03
Mar
k
Ab
r
a
ham
Fix gro
m
p
p not warning wh
e
n
.
mdp values have wr
o
ng
.
.
.
commit
|
commitdiff
|
tree
2016-02-03
Ma
r
k
Abraham
Merge release
-
5-0 into release-5-1
commit
|
commitdiff
|
tree
2016-02-03
M
ark
A
braham
Fix dEkin/dl
h
a
n
d
l
in
g
with multiple ra
n
ks
commit
|
commitdiff
|
tree
2016-01-28
Mark
A
braham
Merge branch re
l
ease
-
5-1
commit
|
commitdiff
|
tree
2016-01-28
Mark Abraham
Fix
u
se o
f
_
_APPLE__ in OpenCL
code
commit
|
commitdiff
|
tree
2016-01-28
Ma
r
k
A
b
raham
Add
O
p
enC
L
source
fi
l
e
types
to copyright
chec
k
er
commit
|
commitdiff
|
tree
2016-01-28
Mar
k
Abraham
A
voi
d
F
P
exception
commit
|
commitdiff
|
tree
2016-01-27
Mark
A
braham
Mer
g
e
br
a
nch r
e
l
e
ase
-
5
-
1
commit
|
commitdiff
|
tree
2016-01-27
Mark Abraham
Remov
e
bNotLastFrame
commit
|
commitdiff
|
tree
2016-01-27
Mark
Abra
h
am
A
dd
s
uggestion
s
for updatin
g
b
i
n
u
ti
l
s
commit
|
commitdiff
|
tree
2016-01-26
M
a
r
k
A
b
raham
Fix default for GMX_USE_NVML
commit
|
commitdiff
|
tree
2016-01-25
Mark Abra
h
a
m
Mer
g
e b
r
anc
h
releas
e
-5-1
commit
|
commitdiff
|
tree
2016-01-24
Mark Abra
h
am
F
i
x d
u
plicat
e
LaTeX
equation label
commit
|
commitdiff
|
tree
2016-01-24
Ma
r
k
A
bra
h
a
m
U
p
d
ate references to HTML and online documentation
commit
|
commitdiff
|
tree
2016-01-14
Mark Abra
h
am
Permit c
u
stomized testing of grompp an
d
m
d
run
commit
|
commitdiff
|
tree
2016-01-13
Ma
r
k Abraham
Allowed NVML support
t
o be
toggled
commit
|
commitdiff
|
tree
2016-01-12
Mark Ab
r
a
ha
m
Merge bra
n
ch r
e
lease-5-0
into release-
5
-1
commit
|
commitdiff
|
tree
2016-01-11
Ma
r
k Abrah
a
m
Improved update_coords
commit
|
commitdiff
|
tree
2016-01-08
M
a
rk Abr
a
ham
Improve tpr h
e
ader
v
ers
i
on
h
a
ndling
commit
|
commitdiff
|
tree
2016-01-08
M
a
rk
Abrah
a
m
Merge br
a
nch
releas
e
-5-1
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
F
i
x some mdr
u
n header
d
e
pend
e
ncies
commit
|
commitdiff
|
tree
2016-01-07
Mark
A
braham
Avoid more
C
++
b
indings for MPI
commit
|
commitdiff
|
tree
2016-01-07
Mark Abra
h
am
Documen
t
how potent
i
al-switch w
o
rks
commit
|
commitdiff
|
tree
2016-01-07
Mark Ab
r
ah
a
m
Stop
us
i
n
g UNDEFINED as name of a symbol
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Remove fields
u
se
d
only
for SD
2
commit
|
commitdiff
|
tree
2016-01-07
M
ark A
b
rah
a
m
Backpor
t
md-vv fixes
commit
|
commitdiff
|
tree
2016-01-07
Mar
k
Abrah
a
m
Remove SD2 integrator
commit
|
commitdiff
|
tree
2016-01-06
Mark Abraham
F
ix spurious gcc warning
commit
|
commitdiff
|
tree
2016-01-05
M
ark
A
bra
h
am
Fix l
o
g
ic f
o
r DD missing-i
n
teractions check
commit
|
commitdiff
|
tree
2016-01-05
Mark Abraham
Use
E
XPECT_TR
U
E and E
X
P
E
C
T
_
FAL
S
E
i
n new SI
M
D t
e
sts
commit
|
commitdiff
|
tree
2016-01-04
Mar
k
Abrah
a
m
Change
G
MX_DOUB
L
E t
o
b
e
always
d
e
f
ined
commit
|
commitdiff
|
tree
2015-12-28
Mark Abr
a
ham
Create invertmatrix
.
h
commit
|
commitdiff
|
tree
2015-12-28
Ma
r
k Ab
r
aham
Merge bra
n
ch release-5-1
commit
|
commitdiff
|
tree
2015-12-27
Mark Abrah
a
m
Fix
s
ome Ope
n
CL
i
s
s
ues
commit
|
commitdiff
|
tree
2015-12-24
Mark Abra
h
a
m
M
o
ved re
s
ponsib
i
li
t
y
for f_g
l
obal
commit
|
commitdiff
|
tree
2015-12-24
M
a
rk Ab
r
a
h
am
Shell c
o
de
c
le
a
n
up
commit
|
commitdiff
|
tree
2015-12-17
Ma
r
k Abraham
Simplified
e
nergy-summa
t
ion code
commit
|
commitdiff
|
tree
2015-12-12
M
a
r
k
Abraham
Brok
e
up copyri
g
ht
.
*
commit
|
commitdiff
|
tree
2015-12-12
Mark Abraham
Require Nose-Hoover with MTTK
commit
|
commitdiff
|
tree
2015-12-11
M
a
rk Abraham
Stop gl
o
b
a
l communication d
e
pend
i
ng on integ
r
ator
commit
|
commitdiff
|
tree
2015-12-10
Mark
A
braha
m
Merge bran
c
h 'origin/release
-
5-1'
commit
|
commitdiff
|
tree
2015-12-09
M
ark Abrah
a
m
Upda
t
e us
e
of pre
p
rocesso
r
in m
a
naging G
P
U support
commit
|
commitdiff
|
tree
2015-12-08
Mark Abraham
Mer
g
e b
r
an
c
h 'release-
5
-0' into release-5-1
commit
|
commitdiff
|
tree
2015-12-08
Mark Abrah
a
m
Fix Trotter
integration
commit
|
commitdiff
|
tree
2015-12-03
Mark
Abraha
m
Remo
v
e
m
drun -c
o
mpact
commit
|
commitdiff
|
tree
2015-12-02
Mark Abraham
R
e
m
o
v
e twin-ran
g
e scheme
commit
|
commitdiff
|
tree
2015-11-30
Mark Abra
h
am
Refacto
r
ha
r
dware informa
t
i
on
m
anagement
commit
|
commitdiff
|
tree
2015-11-25
Mark Abraham
Fix logic of dd_pr
i
nt
_
missing_inter
a
ctio
n
s e
x
it
commit
|
commitdiff
|
tree
2015-11-24
Mark Abraham
Fix error in
m
ul
t
i-
s
im
c
om
m
unicatio
n
commit
|
commitdiff
|
tree
next