issues
search
ftherrien
/
p2ptrans
An algorithm to match crystal structures atom-to-atom
http://p2ptrans.rtfd.io
51
stars
8
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Facing error during p2ptrans --help
#34
SANAULLAHMIR
closed
7 months ago
9
Crashes with error for test run
#33
nityasagarjena
closed
1 year ago
1
numpy error, installation in conda env
#32
nityasagarjena
closed
1 year ago
1
Installation error in conda env (MacOS)
#31
nityasagarjena
closed
8 months ago
9
Issue in installation - could not build wheel for p2ptrans
#30
princego
closed
8 months ago
5
Implemented JVC algorithm
#29
TiSchaf95
closed
1 year ago
1
Ti schaf95 patch 2
#28
TiSchaf95
closed
1 year ago
0
p2ptrans generates weird geometries for simple transition
#26
samtsevich
closed
2 years ago
1
Comparisons to pymatgen StructureMatcher and comments on speed
#24
sgbaird
closed
2 years ago
0
FileNotFoundError: [Errno 2] No such file or directory: './fastoptimization.dat'
#22
yanyuan55
closed
2 years ago
2
Install error
#21
yanyuan55
closed
2 years ago
10
Reading of parameter file
#20
SimonMel
closed
2 years ago
3
Typing
#19
Ash-Pera
closed
2 years ago
1
Pytest suite (WIP)
#18
Ash-Pera
opened
2 years ago
0
Inf is not definied
#17
Ash-Pera
closed
2 years ago
3
Parameter file fortran error
#16
jpsal
closed
3 years ago
1
Cannot track progress after the initial output
#15
Srilok
closed
4 years ago
1
added output poscar names
#14
Ash-Pera
closed
4 years ago
0
Add simple proving test
#13
Ash-Pera
closed
4 years ago
0
Minor fixes
#12
Ash-Pera
closed
4 years ago
3
Pylada Error: Found translation but no primitive cell
#11
Ash-Pera
closed
4 years ago
2
Fails to correctly minimize unit cell in some cases
#10
Ash-Pera
closed
4 years ago
2
Adding p2ptrans to PyPl
#9
Ash-Pera
opened
4 years ago
13
Installation issues: `'p2ptrans --help' terminated by signal SIGSEGV (Address boundary error)`
#8
mkhorton
closed
4 years ago
17
p2ptrans does not work
#7
vstevano
closed
4 years ago
1
Pip installation error
#6
Ash-Pera
closed
4 years ago
3
p2p.in missing 2
#5
Ash-Pera
closed
4 years ago
2
Typo in p2ptrans.py
#4
Ash-Pera
closed
4 years ago
0
p2p.in not found
#3
dskoda
closed
4 years ago
3
Check that gd_std works properly in 3D after adding "ADJUST"
#2
ftherrien
closed
4 years ago
2
Gruber is not used in 3D
#1
ftherrien
closed
5 years ago
0