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Update instructions in containers.rst
2020-11-17
J
oe Jordan
R
e
m
o
ve some extraneous compiler flags f
r
o
m
nblib
commit
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commitdiff
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tree
2020-11-09
Joe Jordan
Add back
e
n
d for nb
l
ib list
e
d forces
API
commit
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commitdiff
|
tree
2020-11-04
Joe Jo
r
dan
NBLIB listed for
c
es API
u
p
d
a
te
commit
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commitdiff
|
tree
2020-10-30
J
o
e Jordan
In
t
ro
d
uce nbl
i
b versionin
g
commit
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commitdiff
|
tree
2020-10-13
Joe Jordan
Fix segfault in pull re
a
ding
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commitdiff
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tree
2020-10-02
Joe Jord
a
n
Add t
e
sts for setStringEntry
commit
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commitdiff
|
tree
2020-09-30
Joe Jordan
A
d
d nblib
sample script
commit
|
commitdiff
|
tree
2020-09-29
Joe Jordan
Add nblib backend: Part 2 of 2
commit
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commitdiff
|
tree
2020-09-28
J
o
e
Jordan
A
dd
nblib back
e
nd: Part 1 o
f
2
commit
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commitdiff
|
tree
2020-09-28
Joe Jordan
Add initial
n
blib public AP
I
commit
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commitdiff
|
tree
2020-09-10
Jo
e
Jor
d
an
Replace
G
M
X_ASSER
T
with assert in vect
y
pes
.
h
commit
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commitdiff
|
tree
2020-07-03
J
o
e Jordan
Use vector in
a
toms2md ins
t
ead
of p
o
inter
commit
|
commitdiff
|
tree
2020-06-23
Joe Jo
r
dan
Remove some hea
d
ers
from
i
nstall t
a
rgets
commit
|
commitdiff
|
tree
2018-11-19
J
oe Jor
d
a
n
f
i
x unu
s
ed variable warning from
g
mxapi compilation
commit
|
commitdiff
|
tree
2018-11-12
J
o
e Jordan
Add coolq
u
otes
commit
|
commitdiff
|
tree
2018-10-23
Joe Jordan
Prope
r
ly
a
ttri
b
ut
e
work a
n
d
u
se c
o
rrect dates for bi
n
a
r
yinfo
.
.
.
commit
|
commitdiff
|
tree
2018-09-17
Joe
Jordan
Refactor pdb2gmx in c++ framework
commit
|
commitdiff
|
tree
2018-09-16
Joe Jordan
Move
variables
around in pdb2gmx
commit
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commitdiff
|
tree
2018-08-24
J
o
e
Jord
a
n
c
h
a
n
ge some
c
har to string
i
n gmxpreprocess
commit
|
commitdiff
|
tree
2018-08-22
Joe
J
o
rd
a
n
F
i
x pdb2gmx -chainsep
commit
|
commitdiff
|
tree
2018-08-14
Joe
Jor
d
an
Ad
d
chain
s
ep and merge tests for pdb2gmx
commit
|
commitdiff
|
tree
2018-07-30
J
o
e J
o
rdan
rem
o
ve most
debug
f
lags fr
o
m
g
mxpr
e
pro
c
ess
commit
|
commitdiff
|
tree
2018-07-17
J
oe Jordan
c
hange gmx_boo
l
to bool
i
n
gmxprepro
c
ess
commit
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commitdiff
|
tree
2018-03-22
J
o
e Jordan
minor fix to
fla
g
s
trings
for
gmx potentia
l
commit
|
commitdiff
|
tree