issues
search
lab-cosmo
/
i-pi-dev_archive
Development version of i-PI
21
stars
12
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
i-pi + lammps problem
#244
changxiaoju
closed
1 year ago
1
Fast forward langevin
#243
dilkins
closed
5 years ago
4
remd
#242
venkatkapil24
closed
5 years ago
0
Integrators (mc-dev)
#241
venkatkapil24
closed
5 years ago
4
Example of i-pi psi connection
#240
tomspur
opened
6 years ago
2
REPIMD for open paths
#239
venkatkapil24
opened
6 years ago
0
Time bugfix
#238
litman90
closed
6 years ago
2
Conserved quanty with thermostat PILE
#237
litman90
closed
5 years ago
6
Unit tests fail for io.
#236
venkatkapil24
closed
6 years ago
0
[WIP] Added an example driver for dynamics, do NOT merge
#235
zerothi
closed
2 years ago
4
enh: enabled verbosity to be over-ridden from the CMD
#234
zerothi
closed
6 years ago
0
bug: fixed doc compilation
#233
zerothi
closed
6 years ago
0
Fixed pepper script: print only relevant messages with verbosity=medium
#232
pjuda
closed
6 years ago
0
Implementation of new dynamics model
#231
zerothi
opened
6 years ago
6
Phonons and asr
#230
litman90
opened
6 years ago
1
Fix examples
#229
mahrossi
closed
6 years ago
0
Instanton
#228
litman90
closed
6 years ago
5
Apply a force based on positions of all beads
#227
kzinovjev
closed
6 years ago
4
Geop warning
#226
litman90
closed
6 years ago
1
Add eckart barrier and CBE pes
#225
litman90
closed
6 years ago
2
Open path
#224
ceriottm
closed
6 years ago
0
Preparing to merge replica exchange
#223
ceriottm
closed
6 years ago
1
Skip first frame in replay mode
#222
pjuda
opened
6 years ago
0
Newregtest
#221
pjuda
closed
6 years ago
0
lammps/benz-graph-slc example does not work
#220
pjuda
closed
6 years ago
6
lammps/h2o-alchemical example does not work
#219
pjuda
closed
6 years ago
1
Fix examples
#218
pjuda
closed
6 years ago
0
Pep8
#217
ceriottm
closed
6 years ago
1
Added check for unique output filenames
#216
pjuda
closed
6 years ago
0
the directory io inside utils/ is named after a standard python module
#215
venkatkapil24
closed
6 years ago
1
Regtest is not thread safe!
#214
venkatkapil24
opened
6 years ago
0
Example pes/neb fails to launch
#213
pjuda
closed
6 years ago
1
Alchemical example lammps/h2o-alchemical fails regression test
#212
pjuda
closed
6 years ago
2
Quantum espresso fails in the qespresso/li4 example.
#211
pjuda
closed
6 years ago
7
Fix examples
#210
pjuda
closed
6 years ago
2
Move all setting of dependencies to the new format
#209
tomspur
closed
6 years ago
12
update the path in the Makefile
#208
carlamariacoppola
closed
6 years ago
1
error while running setup.py build
#207
carlamariacoppola
closed
6 years ago
2
Exiting i-PI if one client died
#206
cgorgulla
closed
5 years ago
1
ThermoDFL: Langevin for inherently dissipative forces (+ Update to ThermoNFL/Example)
#205
Ithanil
closed
6 years ago
6
fix the uncommented line
#204
carlamariacoppola
closed
6 years ago
1
spatially localized RPC
#203
ceriottm
closed
6 years ago
4
DFTB+ examples
#202
kuenzeln
opened
6 years ago
2
Alchemical exchanges - supersedes #196
#201
ceriottm
closed
6 years ago
0
Getting weird error when trying to print out trajectory
#200
venkatkapil24
closed
6 years ago
0
Getting weird error when trying to print out trajectory
#199
kuenzeln
closed
6 years ago
6
thread-safing the depend machinery
#198
ceriottm
closed
6 years ago
0
Unable to Have More Than 1024 File Descriptors at Once
#197
heindelj
opened
6 years ago
10
Alchemical
#196
mahrossi
closed
6 years ago
2
Let's see if this can be merged
#195
mahrossi
closed
6 years ago
1
Next