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rikigigi
/
analisi
Code to analyze molecular dynamics trajectory
GNU General Public License v3.0
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4
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Big refactoring
#36
rikigigi
closed
11 months ago
0
added option to dump the same binary trajetory after specifying a sta…
#35
rikigigi
closed
11 months ago
0
ooops...
#34
rikigigi
closed
1 year ago
0
fixed nopython build, try to fix the macos conda-forge build
#33
rikigigi
closed
1 year ago
0
Devel
#32
rikigigi
closed
1 year ago
0
Devel
#31
rikigigi
closed
2 years ago
0
Devel
#30
rikigigi
closed
2 years ago
0
[skip ci] increased timeout for aarch64 test build in conda-forge
#29
rikigigi
closed
2 years ago
0
increased timeout for notebook test executions
#28
rikigigi
closed
2 years ago
0
try to fix relative directory in tests for conda build
#27
rikigigi
closed
2 years ago
0
this should fix conda-forge tests
#26
rikigigi
closed
2 years ago
0
moved pybind11 to a submodule, updated to v2.9.2
#25
rikigigi
closed
2 years ago
0
Bump numpy from 1.18.0 to 1.22.0 in /pybind11/tests
#24
dependabot[bot]
closed
2 years ago
2
Bump numpy from 1.18.0 to 1.21.0 in /pybind11/tests
#23
dependabot[bot]
closed
2 years ago
1
many new stuff
#22
rikigigi
closed
2 years ago
0
Introduce using less timesteps in the output everywhere, not only in g(r,t)
#21
rikigigi
opened
2 years ago
0
Steinhardt order parameter implementation
#20
rikigigi
closed
2 years ago
0
Cell vectors matrix representation
#19
rikigigi
opened
2 years ago
1
Devel
#18
rikigigi
closed
2 years ago
0
adds variable "every" works only for g(r,t) for now.
#17
DavideTisi
closed
2 years ago
0
added MPI detector in cmake
#16
rikigigi
closed
2 years ago
0
bug fixes, tests added
#15
rikigigi
closed
2 years ago
0
update cmake for old libc
#14
rikigigi
closed
2 years ago
0
new features
#13
rikigigi
closed
2 years ago
0
python library on windows
#12
rikigigi
closed
2 years ago
0
lammps id in python interface, doc upgrade
#11
rikigigi
closed
2 years ago
0
bug fix
#10
rikigigi
closed
3 years ago
0
fixed macos compilation, added ci for macos, fixed return value of cl…
#9
rikigigi
closed
3 years ago
0
added test to spettro vibrazionale
#8
rikigigi
closed
3 years ago
0
Added test suite for cli, refactoring
#7
rikigigi
closed
3 years ago
0
unaligned access fixed, translation of messages into eng, added fpe checks flag, fixed index overflow issue
#6
rikigigi
closed
3 years ago
0
Added Vibrational Spectrum in python interface
#5
DavideTisi
closed
3 years ago
1
adding pytests to CI
#4
rikigigi
closed
3 years ago
0
analisi compile with AppleClang 12.0.5.12050022
#3
DavideTisi
closed
3 years ago
1
bug fix
#2
DavideTisi
closed
3 years ago
0
Some utility tools
#1
DavideTisi
closed
3 years ago
2