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supercell
The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
GNU General Public License v2.0
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"Total oxidation state (cif): nan" & "Error:Group has no unique connection"
#18
PheLiBoP
closed
5 years ago
3
An error about the occupancy
#17
Jiang-Lu-CAS
closed
5 years ago
5
An error in repeating the example of "ice-Ih-adv"
#16
Jiang-Lu-CAS
closed
6 years ago
4
A problem in calculating the coulomb energy
#15
Jiang-Lu-CAS
closed
6 years ago
0
installation problem
#13
zichangyibeizi
closed
6 years ago
12
Taking too long time for 1961256 no of total combinations
#12
dwaipayanroni
closed
6 years ago
8
Consider relicensing to MIT/BSD
#11
afonari
closed
6 years ago
2
Internal representation of structures and programmatic usage (Python)
#10
blokhin
closed
6 years ago
1
Build fails with the recent Open Babel 2.4.1
#9
blokhin
closed
6 years ago
3
bug: changing the angles in cif file results in wrong number of atomic sites
#8
Gitdowski
closed
6 years ago
3
supercell does not read cif file correctly
#7
sprock
closed
6 years ago
28
Ox charge is nan
#6
joellohyy
closed
7 years ago
2
ERROR: Group has no unique connection.
#5
hlyang1992
closed
7 years ago
7
Coulomb energy calculation
#4
Traecp
closed
8 years ago
1
Error: Input file cannot be opened
#3
Traecp
closed
8 years ago
9
Supercell cmake error
#2
zbwang
closed
8 years ago
11
most of the example failed
#1
WeiLiPenguin
closed
8 years ago
9
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