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
)
Move main.*, splitter.*, gmx_omp_nthreads.* to mdlib
[gromacs.git]
/
src
/
gromacs
/
mdlib
/
tree
140e52e145a56635b26e9b32653ce2bbec7ae571
drwxr-xr-x
..
-rw-r--r--
2075
CMakeLists.txt
blob
|
blame
|
history
|
raw
-rw-r--r--
24239
broadcaststructs.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
42085
calc_verletbuf.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
4129
calc_verletbuf.h
blob
|
blame
|
history
|
raw
-rw-r--r--
3657
calcmu.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
2275
calcmu.h
blob
|
blame
|
history
|
raw
-rw-r--r--
6178
calcvir.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
88715
clincs.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
5380
compute_io.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
2183
compute_io.h
blob
|
blame
|
history
|
raw
-rw-r--r--
45379
constr.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
13412
constr.h
blob
|
blame
|
history
|
raw
-rw-r--r--
53208
coupling.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
20366
csettle.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
8570
ebin.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
3735
ebin.h
blob
|
blame
|
history
|
raw
-rw-r--r--
47291
expanded.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
31171
force.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
8531
force.h
blob
|
blame
|
history
|
raw
-rw-r--r--
2791
force_flags.h
blob
|
blame
|
history
|
raw
-rw-r--r--
2043
forcerec-threading.h
blob
|
blame
|
history
|
raw
-rw-r--r--
108987
forcerec.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
5769
forcerec.h
blob
|
blame
|
history
|
raw
-rw-r--r--
49320
genborn.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
7386
genborn.h
blob
|
blame
|
history
|
raw
-rw-r--r--
34138
genborn_allvsall.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
3434
genborn_allvsall.h
blob
|
blame
|
history
|
raw
-rw-r--r--
19166
gmx_omp_nthreads.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
3264
gmx_omp_nthreads.h
blob
|
blame
|
history
|
raw
-rw-r--r--
13771
groupcoord.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
10373
groupcoord.h
blob
|
blame
|
history
|
raw
-rw-r--r--
5539
integrator.h
blob
|
blame
|
history
|
raw
-rw-r--r--
10800
main.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
3185
main.h
blob
|
blame
|
history
|
raw
-rw-r--r--
24625
md_support.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
5361
md_support.h
blob
|
blame
|
history
|
raw
-rw-r--r--
13633
mdatoms.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
2529
mdatoms.h
blob
|
blame
|
history
|
raw
-rw-r--r--
51037
mdebin.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
6553
mdebin.h
blob
|
blame
|
history
|
raw
-rw-r--r--
23572
mdebin_bar.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
8909
mdebin_bar.h
blob
|
blame
|
history
|
raw
-rw-r--r--
16063
mdoutf.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
4289
mdoutf.h
blob
|
blame
|
history
|
raw
-rw-r--r--
4062
mdrun.h
blob
|
blame
|
history
|
raw
-rw-r--r--
4728
mdrun_signalling.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
4343
mdrun_signalling.h
blob
|
blame
|
history
|
raw
-rw-r--r--
102209
minimize.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
2294
minimize.h
blob
|
blame
|
history
|
raw
-rw-r--r--
4383
nb_verlet.h
blob
|
blame
|
history
|
raw
-rw-r--r--
54870
nbnxn_atomdata.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
5244
nbnxn_atomdata.h
blob
|
blame
|
history
|
raw
-rw-r--r--
4348
nbnxn_consts.h
blob
|
blame
|
history
|
raw
drwxr-xr-x
-
nbnxn_cuda
tree
|
history
-rw-r--r--
4135
nbnxn_gpu.h
blob
|
blame
|
history
|
raw
-rw-r--r--
5475
nbnxn_gpu_data_mgmt.h
blob
|
blame
|
history
|
raw
-rw-r--r--
2283
nbnxn_gpu_jit_support.h
blob
|
blame
|
history
|
raw
-rw-r--r--
2162
nbnxn_gpu_types.h
blob
|
blame
|
history
|
raw
-rw-r--r--
55390
nbnxn_grid.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
4187
nbnxn_grid.h
blob
|
blame
|
history
|
raw
-rw-r--r--
13571
nbnxn_internal.h
blob
|
blame
|
history
|
raw
drwxr-xr-x
-
nbnxn_kernels
tree
|
history
drwxr-xr-x
-
nbnxn_ocl
tree
|
history
-rw-r--r--
13592
nbnxn_pairlist.h
blob
|
blame
|
history
|
raw
-rw-r--r--
141291
nbnxn_search.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
3844
nbnxn_search.h
blob
|
blame
|
history
|
raw
-rw-r--r--
9133
nbnxn_search_simd_2xnn.h
blob
|
blame
|
history
|
raw
-rw-r--r--
10782
nbnxn_search_simd_4xn.h
blob
|
blame
|
history
|
raw
-rw-r--r--
3154
nbnxn_simd.h
blob
|
blame
|
history
|
raw
-rw-r--r--
4010
nbnxn_util.h
blob
|
blame
|
history
|
raw
-rw-r--r--
75152
ns.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
3781
ns.h
blob
|
blame
|
history
|
raw
-rw-r--r--
27088
nsgrid.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
6175
nsgrid.h
blob
|
blame
|
history
|
raw
-rw-r--r--
15506
perf_est.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
2534
perf_est.h
blob
|
blame
|
history
|
raw
-rw-r--r--
9912
qm_gamess.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
33610
qm_gaussian.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
7697
qm_mopac.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
15339
qm_orca.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
40824
qmmm.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
6845
qmmm.h
blob
|
blame
|
history
|
raw
-rw-r--r--
5192
rbin.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
2602
rbin.h
blob
|
blame
|
history
|
raw
-rw-r--r--
10423
rf_util.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
21133
shakef.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
40658
shellfc.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
3589
shellfc.h
blob
|
blame
|
history
|
raw
-rw-r--r--
5202
sighandler.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
3343
sighandler.h
blob
|
blame
|
history
|
raw
-rw-r--r--
93316
sim_util.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
6172
sim_util.h
blob
|
blame
|
history
|
raw
-rw-r--r--
11002
splitter.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
2276
splitter.h
blob
|
blame
|
history
|
raw
-rw-r--r--
12089
stat.cpp
blob
|
blame
|
history
|
raw
drwxr-xr-x
-
tests
tree
|
history
-rw-r--r--
10172
tgroup.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
3036
tgroup.h
blob
|
blame
|
history
|
raw
-rw-r--r--
31885
tpi.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
2028
tpi.h
blob
|
blame
|
history
|
raw
-rw-r--r--
6926
trajectory_writing.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
3725
trajectory_writing.h
blob
|
blame
|
history
|
raw
-rw-r--r--
67905
update.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
9796
update.h
blob
|
blame
|
history
|
raw
-rw-r--r--
12907
vcm.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
3449
vcm.h
blob
|
blame
|
history
|
raw
-rw-r--r--
61363
vsite.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
6185
vsite.h
blob
|
blame
|
history
|
raw
-rw-r--r--
12713
wall.cpp
blob
|
blame
|
history
|
raw
-rw-r--r--
5610
wnblist.cpp
blob
|
blame
|
history
|
raw