issues
search
abelcarreras
/
DynaPhoPy
Phonon anharmonicity analysis from molecular dynamics
http://abelcarreras.github.io/DynaPhoPy/
MIT License
113
stars
51
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Cleanup deprecated and removed NumPy APIs in C extension
#34
chazeon
closed
3 months ago
3
Change import scipy.integrate.simps to scipy.integrate.simpson
#33
jan-janssen
closed
3 months ago
0
MD ensemble selection
#32
1041176461
closed
4 months ago
2
The program shows an error！
#31
Liang1Kai
closed
4 months ago
4
Output renormalized FORCE_SETS
#30
chejunwei2
closed
4 months ago
2
Whether the dynaphopy can be applied to calculate the phonon lifetime vs frequency?
#29
Guancred
closed
7 months ago
2
option to modify symprec=1e-5 for force constant symmetrization
#28
bobleesj
closed
9 months ago
2
Some questions about the calculation of phonon free energy with dynaphopy
#27
Lweiweij
opened
9 months ago
17
size is increased, after trajectory in the format of lammps is transfered to the format of hdf5
#26
XIANG-Xing
closed
8 months ago
2
Question on Installation
#25
LePingKYXK
closed
1 year ago
6
Can you tag on github when pip releases a new version？
#24
yuhldr
closed
1 year ago
1
No module named 'phonopy'
#23
thliu-hust
closed
1 year ago
3
Full power spectra becomes noisier with increasing simulations length + odd behaviour with temperature
#22
gabkrenzer
closed
1 year ago
7
Setup.py fails on Mac because erroneously detecting Windows
#21
mcallsen
closed
1 year ago
2
No hdf5 parser in dynaphopy.interface.iofile.trajectory_parsers
#20
gabkrenzer
opened
1 year ago
2
Atomic order in POSCAR and the data file
#19
ZhangMin-qq
closed
1 year ago
4
Error occurred when running GaN_lammps in examples.
#18
ZhangMin-qq
closed
1 year ago
2
Divergence of the power spectra with the larger supercell
#17
ballal09
closed
2 years ago
10
Compatibility to latest LAMMPS version
#16
jan-janssen
closed
2 years ago
0
calculation on anharmonicity of amorphous using DynaPhopy
#15
KunHeeYe
closed
3 years ago
3
4 - Frequency vs linewidth (interpolated mesh)
#14
Bowen-677
closed
3 years ago
10
The output of blank picture of phonon dispersion
#13
Bowen-677
closed
3 years ago
7
Still running into problems with NBLOCK
#12
gabkrenzer
closed
3 years ago
88
DynaPhoPy does not take NBLOCK into account
#11
gabkrenzer
closed
3 years ago
6
Update __init__.py
#10
Pyneappledude
closed
4 years ago
2
How to run the dynaphopy by openmp
#9
ZengZezhu
closed
4 years ago
4
The error when run the dynaphopy
#8
ZengZezhu
closed
4 years ago
7
RuntimeError when trying to project power spectra on phonon mode
#7
DjordjeDangic
closed
4 years ago
6
Replace set_dynamical_matrices with create_dynamical_matrices
#6
jan-janssen
closed
5 years ago
1
How to use DynaPhoPy as a python module?
#5
gooaah
closed
6 years ago
1
unittest failure `test_force_constants_self_consistency` in `Si_test.py`
#4
bjmorgan
closed
6 years ago
7
Fix for matplotlib import error for systems without TkInter installed.
#3
bjmorgan
closed
6 years ago
5
Maxwell-Boltzmann distribution analysis does not fit well
#2
wenlibin02
closed
7 years ago
4
Development
#1
abelcarreras
closed
9 years ago
0