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gmxapi::UsageError
2018-10-14
M
.
E
ric
I
rrgang
gmxapi::Us
a
geError
commit
|
commitdiff
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tree
2018-10-14
M
.
Eric Ir
r
gang
A
llow
API a
c
ce
s
s
to simulation signa
l
s
.
commit
|
commitdiff
|
tree
2018-10-12
M
.
Eric Irrg
a
ng
Add g
m
xapi s
e
s
sion resources
.
commit
|
commitdiff
|
tree
2018-10-12
M
.
Er
i
c Irr
g
ang
Enable re
s
trai
n
t
s
facilities
.
commit
|
commitdiff
|
tree
2018-10-12
M
.
E
ric Irrgang
Ad
d
A
P
I for a
d
ding
M
DMo
d
ules /
R
est
r
aints
.
commit
|
commitdiff
|
tree
2018-10-12
M
.
Er
i
c Irrgang
Initi
a
lize force v
e
ct
o
r in
PotentialPo
i
ntData constructor
.
commit
|
commitdiff
|
tree
2018-10-12
M
.
Eric Ir
r
g
ang
Add
r
estraints framewor
k
.
commit
|
commitdiff
|
tree
2018-10-11
M
.
E
ric Ir
r
ga
n
g
Add g
m
x
a
p
i::Workflow
.
commit
|
commitdiff
|
tree
2018-10-11
M
.
E
r
ic Irr
g
ang
A
d
d gmxapi::
S
e
s
s
ion
.
commit
|
commitdiff
|
tree
2018-10-10
M
.
Eric
I
rrgang
gmxapi e
x
pec
t
s
pos
i
ti
o
n
indepe
n
dent code
.
commit
|
commitdiff
|
tree
2018-10-05
M
.
Er
i
c Irrgang
Add gmxapi::Syste
m
.
commit
|
commitdiff
|
tree
2018-10-03
M
.
Eric Ir
r
gang
Add
gmxapi::Contex
t
.
commit
|
commitdiff
|
tree
2018-10-03
M
.
Eric Irrgang
Combine private sections of Mdrunner defin
i
tion
.
commit
|
commitdiff
|
tree
2018-10-03
M
.
Eric Irrg
a
ng
Move mdr
u
n main
F
unction t
o
c
l
ient code
.
commit
|
commitdiff
|
tree
2018-10-03
M
.
Eric Irrgang
Add test
d
ata for gmxapi
.
commit
|
commitdiff
|
tree
2018-10-03
M
.
Er
i
c Irrgang
A
d
d
gmxap
i
excepti
o
ns
.
commit
|
commitdiff
|
tree
2018-10-02
M
.
Eric
I
r
r
gang
Add gmxapi::Status
.
commit
|
commitdiff
|
tree
2018-09-25
M
.
Eric Irrgang
Allow explici
t
reset of si
m
ulation stop condition
.
commit
|
commitdiff
|
tree
2018-09-24
M
.
Eric Irrga
n
g
Fi
x
gmxa
p
i::
V
ersion tes
t
regression
.
commit
|
commitdiff
|
tree
2018-09-23
M
.
E
r
i
c
Irrg
a
ng
Ad
d
gm
x
api::M
D
Module
.
commit
|
commitdiff
|
tree
2018-09-19
M
.
Eric
Irrg
a
ng
Chan
g
e names of gmxapi
:
:Version functions
.
commit
|
commitdiff
|
tree
2018-09-17
M
.
Eric Irrgang
Framework
i
n whic
h
to
bui
l
d gmx
a
p
i
.
commit
|
commitdiff
|
tree
2018-09-14
M
.
Eric Irrgang
Rearrange md
r
un/runner
.
h
commit
|
commitdiff
|
tree
2018-09-12
M
.
E
ri
c
Ir
r
gang
Si
m
plif
y
a
d
d
_
suffix_to_out
p
ut_
n
am
e
s()
commit
|
commitdiff
|
tree
2018-09-10
M
.
Eric Irrgang
Remove
cons
t
from pointers in
t_filenm
.
commit
|
commitdiff
|
tree
2018-09-05
M
.
Eri
c
Irrgang
Adju
s
t l
o
a
d
er path r
e
soluti
o
n on Mac
OS
X
.
commit
|
commitdiff
|
tree
2018-08-29
M
.
Eric Irrgang
Al
l
ow ext
e
nsible MDModul
e
s
an
d
forceProvi
d
ers
.
commit
|
commitdiff
|
tree
2018-08-08
M
.
Eric Irr
g
a
n
g
Enable ccache
comp
i
ler wr
a
p
p
e
r
when
available
.
commit
|
commitdiff
|
tree
2018-08-07
M
.
Eric Irrgang
Add
some developer help to Developer Guide
.
commit
|
commitdiff
|
tree
2018-08-01
M
.
E
r
i
c
Irrga
n
g
Remove extran
e
o
u
s gi
t
ignore line
.
commit
|
commitdiff
|
tree
2017-09-02
M
.
Eric Irrgang
Remove macro that c
o
nfu
s
es some debuggers
commit
|
commitdiff
|
tree
2017-09-02
M
.
Eric Irrga
n
g
m
ake a box parameter const
commit
|
commitdiff
|
tree
2017-08-31
M
.
Eri
c
I
rrgang
Add more git
i
gnores
commit
|
commitdiff
|
tree
2017-08-30
M
.
Eric Irrgang
normalize some
C header in
c
l
udes
commit
|
commitdiff
|
tree
2017-08-30
M
.
E
r
ic
I
rrgang
sma
l
l precautio
n
i
n case *argc == 0
commit
|
commitdiff
|
tree
2017-08-30
M
.
Er
i
c Irrgang
Declare an
in
p
ut parame
t
er con
s
t
commit
|
commitdiff
|
tree
2017-07-27
M
.
Eric Irrgang
Prov
i
de STL make
_
uni
q
ue temp
l
ate function
.
commit
|
commitdiff
|
tree
2017-06-30
M
.
Eric Irrgang
Mark unmodified input par
a
me
t
er as const
.
commit
|
commitdiff
|
tree
2017-06-29
M
.
Eric
I
rrga
n
g
Ma
r
k
unmodifie
d
input p
a
rame
t
er const
commit
|
commitdiff
|
tree
2017-04-22
M
.
Eric Irrgang
ign
o
re OS
X
Find
e
r metadata
commit
|
commitdiff
|
tree
2017-04-22
M
.
Eric Irrgan
g
sort ign
o
red f
i
le extensions
commit
|
commitdiff
|
tree
2017-04-22
M
.
Eric Irrga
n
g
ignore g
+
+ preco
m
piler he
a
der output
commit
|
commitdiff
|
tree
2017-03-17
M
.
Eric
Irrgang
A
dd
a
n
e
x
tra verbose target
f
or d
o
cs
commit
|
commitdiff
|
tree
2016-12-15
M
.
Eric Ir
r
gang
Fix syntax in cmake status m
e
ssage
commit
|
commitdiff
|
tree