repo.or.cz
/
gromacs.git
/
tree
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
history
|
HEAD
|
snapshot (
tar.gz
zip
)
Updated grompp.mdp for tutor/water
[gromacs.git]
/
src
/
mdlib
/
tree
143f713acb7f3b2e5d167a46f9a248ba7d286e79
drwxr-xr-x
..
-rw-r--r--
32
.cvsignore
blob
|
blame
|
history
|
raw
-rw-r--r--
874
CMakeLists.txt
blob
|
blame
|
history
|
raw
-rw-r--r--
2500
calcmu.c
blob
|
blame
|
history
|
raw
-rw-r--r--
6170
calcvir.c
blob
|
blame
|
history
|
raw
-rw-r--r--
40950
clincs.c
blob
|
blame
|
history
|
raw
-rw-r--r--
33312
constr.c
blob
|
blame
|
history
|
raw
-rw-r--r--
42248
coupling.c
blob
|
blame
|
history
|
raw
-rw-r--r--
19382
csettle.c
blob
|
blame
|
history
|
raw
-rw-r--r--
263666
domdec.c
blob
|
blame
|
history
|
raw
-rw-r--r--
8395
domdec_box.c
blob
|
blame
|
history
|
raw
-rw-r--r--
35610
domdec_con.c
blob
|
blame
|
history
|
raw
-rw-r--r--
7973
domdec_network.c
blob
|
blame
|
history
|
raw
-rw-r--r--
21440
domdec_setup.c
blob
|
blame
|
history
|
raw
-rw-r--r--
66639
domdec_top.c
blob
|
blame
|
history
|
raw
-rw-r--r--
8038
ebin.c
blob
|
blame
|
history
|
raw
-rw-r--r--
90694
edsam.c
blob
|
blame
|
history
|
raw
-rw-r--r--
6637
ewald.c
blob
|
blame
|
history
|
raw
-rw-r--r--
33998
fft5d.c
blob
|
blame
|
history
|
raw
-rw-r--r--
2447
fft5d.h
blob
|
blame
|
history
|
raw
-rw-r--r--
23644
force.c
blob
|
blame
|
history
|
raw
-rw-r--r--
57841
forcerec.c
blob
|
blame
|
history
|
raw
-rw-r--r--
61294
genborn.c
blob
|
blame
|
history
|
raw
-rw-r--r--
34391
genborn_allvsall.c
blob
|
blame
|
history
|
raw
-rw-r--r--
3022
genborn_allvsall.h
blob
|
blame
|
history
|
raw
-rw-r--r--
114067
genborn_allvsall_sse2_double.c
blob
|
blame
|
history
|
raw
-rw-r--r--
3310
genborn_allvsall_sse2_double.h
blob
|
blame
|
history
|
raw
-rw-r--r--
182514
genborn_allvsall_sse2_single.c
blob
|
blame
|
history
|
raw
-rw-r--r--
3310
genborn_allvsall_sse2_single.h
blob
|
blame
|
history
|
raw
-rw-r--r--
33481
genborn_sse2_double.c
blob
|
blame
|
history
|
raw
-rw-r--r--
2204
genborn_sse2_double.h
blob
|
blame
|
history
|
raw
-rw-r--r--
61155
genborn_sse2_single.c
blob
|
blame
|
history
|
raw
-rw-r--r--
2259
genborn_sse2_single.h
blob
|
blame
|
history
|
raw
-rw-r--r--
8360
ghat.c
blob
|
blame
|
history
|
raw
-rw-r--r--
12592
gmx_fft.c
blob
|
blame
|
history
|
raw
-rw-r--r--
35838
gmx_fft_acml.c
blob
|
blame
|
history
|
raw
-rw-r--r--
78902
gmx_fft_fftpack.c
blob
|
blame
|
history
|
raw
-rw-r--r--
20143
gmx_fft_fftw2.c
blob
|
blame
|
history
|
raw
-rw-r--r--
30753
gmx_fft_fftw3.c
blob
|
blame
|
history
|
raw
-rw-r--r--
34820
gmx_fft_mkl.c
blob
|
blame
|
history
|
raw
-rw-r--r--
5742
gmx_parallel_3dfft.c
blob
|
blame
|
history
|
raw
-rw-r--r--
2431
gmx_qhop_db.h
blob
|
blame
|
history
|
raw
-rw-r--r--
2570
gmx_qhop_db_test.c
blob
|
blame
|
history
|
raw
-rw-r--r--
3928
gmx_qhop_parm.c
blob
|
blame
|
history
|
raw
-rw-r--r--
993
gmx_qhop_parm.h
blob
|
blame
|
history
|
raw
-rw-r--r--
9439
gmx_qhop_xml.c
blob
|
blame
|
history
|
raw
-rw-r--r--
206
gmx_qhop_xml.h
blob
|
blame
|
history
|
raw
-rw-r--r--
11673
gmx_wallcycle.c
blob
|
blame
|
history
|
raw
-rw-r--r--
12643
groupcoord.c
blob
|
blame
|
history
|
raw
-rw-r--r--
9267
groupcoord.h
blob
|
blame
|
history
|
raw
-rw-r--r--
4933
init.c
blob
|
blame
|
history
|
raw
-rw-r--r--
9036
iteratedconstraints.c
blob
|
blame
|
history
|
raw
-rw-r--r--
341
libmd.pc.cmakein
blob
|
blame
|
history
|
raw
-rw-r--r--
23983
md_support.c
blob
|
blame
|
history
|
raw
-rw-r--r--
7933
mdatom.c
blob
|
blame
|
history
|
raw
-rw-r--r--
39514
mdebin.c
blob
|
blame
|
history
|
raw
-rw-r--r--
14043
mdebin_bar.c
blob
|
blame
|
history
|
raw
-rw-r--r--
5378
mdebin_bar.h
blob
|
blame
|
history
|
raw
-rw-r--r--
74475
minimize.c
blob
|
blame
|
history
|
raw
-rw-r--r--
9075
mvxvf.c
blob
|
blame
|
history
|
raw
-rw-r--r--
4403
nlistheuristics.c
blob
|
blame
|
history
|
raw
-rw-r--r--
88757
ns.c
blob
|
blame
|
history
|
raw
-rw-r--r--
25341
nsgrid.c
blob
|
blame
|
history
|
raw
-rw-r--r--
28776
partdec.c
blob
|
blame
|
history
|
raw
-rw-r--r--
6370
perf_est.c
blob
|
blame
|
history
|
raw
-rw-r--r--
86935
pme.c
blob
|
blame
|
history
|
raw
-rw-r--r--
15024
pme_pp.c
blob
|
blame
|
history
|
raw
-rw-r--r--
17487
pppm.c
blob
|
blame
|
history
|
raw
-rw-r--r--
38170
pull.c
blob
|
blame
|
history
|
raw
-rw-r--r--
12086
pullutil.c
blob
|
blame
|
history
|
raw
-rw-r--r--
7753
qm_gamess.c
blob
|
blame
|
history
|
raw
-rw-r--r--
26992
qm_gaussian.c
blob
|
blame
|
history
|
raw
-rw-r--r--
6783
qm_mopac.c
blob
|
blame
|
history
|
raw
-rw-r--r--
13364
qm_orca.c
blob
|
blame
|
history
|
raw
-rw-r--r--
32568
qmmm.c
blob
|
blame
|
history
|
raw
-rw-r--r--
7102
rf_util.c
blob
|
blame
|
history
|
raw
-rw-r--r--
14982
shakef.c
blob
|
blame
|
history
|
raw
-rw-r--r--
28440
shellfc.c
blob
|
blame
|
history
|
raw
-rw-r--r--
44949
sim_util.c
blob
|
blame
|
history
|
raw
-rw-r--r--
20655
stat.c
blob
|
blame
|
history
|
raw
-rw-r--r--
29245
tables.c
blob
|
blame
|
history
|
raw
-rw-r--r--
7801
tgroup.c
blob
|
blame
|
history
|
raw
-rw-r--r--
27344
tpi.c
blob
|
blame
|
history
|
raw
-rw-r--r--
55696
update.c
blob
|
blame
|
history
|
raw
-rw-r--r--
9398
vcm.c
blob
|
blame
|
history
|
raw
-rw-r--r--
39717
vsite.c
blob
|
blame
|
history
|
raw
-rw-r--r--
10961
wall.c
blob
|
blame
|
history
|
raw
-rw-r--r--
6761
wnblist.c
blob
|
blame
|
history
|
raw