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Fix case insensitive string comparison
2019-03-19
P
a
ul Bau
e
r
Fix
c
ase ins
e
nsiti
v
e string comparison
commit
|
commitdiff
|
tree
2019-03-19
Mark Abraham
F
ix clang
warni
n
g
commit
|
commitdiff
|
tree
2019-03-19
Mark Abraham
U
p
date Electr
i
cField modul
e
commit
|
commitdiff
|
tree
2019-03-13
Paul Bauer
Add
t
ests for preproce
s
s
atom types
commit
|
commitdiff
|
tree
2019-03-13
Pa
u
l
Bauer
Refacto
r
t
_
param to Interaction
T
y
pe
commit
|
commitdiff
|
tree
2019-03-08
P
aul Bauer
Ref
a
c
t
or pr
e
processing atom t
y
pes
.
commit
|
commitdiff
|
tree
2019-03-07
Mar
k
A
br
a
ham
New t
e
sts
fo
r
pdb2
g
mx a
n
d
editco
n
f
commit
|
commitdiff
|
tree
2019-02-27
Mark Abr
a
ha
m
Keep n
i
che CM
a
ke variables as advanced
commit
|
commitdiff
|
tree
2019-02-25
Mark
Abraha
m
Move code out of sim_util
.
cpp
commit
|
commitdiff
|
tree
2019-02-15
Paul Bauer
Fix memory
lea
k
s in edit
c
onf
commit
|
commitdiff
|
tree
2019-02-14
Mark Abraham
Fix use of s
e
lections referring to
index
g
roups
commit
|
commitdiff
|
tree
2019-02-14
Mark Abraha
m
R
e
v
ert
c
hange
s
to implem
e
ntat
i
on of insert-molecul
e
s
.
.
.
commit
|
commitdiff
|
tree
2019-02-13
Pa
u
l
Bauer
R
e
f
a
c
tor rtp ren
a
min
g
commit
|
commitdiff
|
tree
2019-02-13
Mark Abraham
Make EnergyOutpu
t
wrapper cl
a
ss
commit
|
commitdiff
|
tree
2019-02-08
M
a
rk
A
braham
Re
m
ov
e
copy_energy fr
o
m ener
g
y-writing steps
commit
|
commitdiff
|
tree
2019-02-07
R
o
land Schulz
Add ssize and remove static_casts
commit
|
commitdiff
|
tree
2019-01-25
Mar
k
Abraham
Un
i
fy
r
e
gex imp
l
e
mentation
commit
|
commitdiff
|
tree
2019-01-24
C
h
ristian Blau
Re
m
ove extra semicolons causing clang warni
n
gs
.
commit
|
commitdiff
|
tree
2019-01-18
Kevin Boyd
Add te
s
t
s
f
or gmx mindist
commit
|
commitdiff
|
tree
2018-12-20
D
a
vid van der Spoel
R
emoved t_topolog
y
from gm
x
msd
commit
|
commitdiff
|
tree
2018-12-12
Szilárd
P
áll
Improve DLB report/note
commit
|
commitdiff
|
tree
2018-12-10
Paul Bauer
U
se mo
r
e const referen
c
e
s
i
n
t
opology code
commit
|
commitdiff
|
tree
2018-12-06
boristim
U
p
da
t
e
s
to do_dssp
commit
|
commitdiff
|
tree
2018-10-03
Mark Abra
h
a
m
Basic m
o
dern
i
zation of md5
h
and
l
ing
commit
|
commitdiff
|
tree
2018-08-30
Christian Blau
Conv
e
rt
ess
e
ntia
l
dynamics C-structs to C+
+
pt1
.
commit
|
commitdiff
|
tree
2018-08-20
Berk Hess
Make gmx_ga2la_
t
a
p
roper class
commit
|
commitdiff
|
tree
2018-08-17
Be
r
k
H
e
s
s
Make pull p
b
c ato
m
use LocalAtomSet
commit
|
commitdiff
|
tree
2018-08-14
Roland Schulz
Re
m
ove BasicVector
.
as_vec
commit
|
commitdiff
|
tree
2018-08-10
Kevin Bo
y
d
A
dd
e
d
p
hysical vali
d
ation document to the
dev manual
.
commit
|
commitdiff
|
tree
2018-08-09
C
h
risti
a
n Blau
Remove Deb
u
g H
e
lp
e
rs from Essential Dynam
i
cs
c
o
d
e
.
commit
|
commitdiff
|
tree
2018-08-08
Ch
r
i
s
tian
Blau
Ess
e
ntia
l
dy
n
am
i
cs functions use
const-
r
ef for in
p
ut
.
.
.
commit
|
commitdiff
|
tree
2018-08-08
Christian
B
lau
S
p
lit
essential dynami
c
s eig
e
nvector
reading
.
commit
|
commitdiff
|
tree
2018-08-08
Christian Bl
a
u
M
ak
e
ess
e
nt
i
al dyn
a
m
i
cs a C++ type
.
commit
|
commitdiff
|
tree