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libAtoms
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extxyz
Extended XYZ specification and parsers
MIT License
12
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Issue19 C executable use correct interface
#21
stenczelt
closed
6 days ago
0
C example reads the whole 2nd line as a comment
#20
stenczelt
opened
1 week ago
5
C executable build failure on ARM Mac
#19
stenczelt
opened
1 week ago
5
Register as ASE I/O plugin
#18
jameskermode
opened
5 months ago
0
WIP on meson port
#17
jameskermode
opened
9 months ago
0
moving all errors from stderr to returned error message string
#16
jameskermode
closed
9 months ago
0
Segfaults
#15
mfherbst
closed
5 months ago
10
Parsing errors should be returned to Python, not printed on stderr
#14
jameskermode
closed
9 months ago
0
Install on conda distrubution
#13
cpashartis
opened
1 year ago
3
How can I add 272.06(sum 272.06 to the energy value in the properties) to energy in the top line by simple one line code to large clusture
#12
Amitcuhp
closed
10 months ago
1
How to sort ase xyz file according to ascending order of energies
#11
Amitcuhp
closed
1 year ago
4
Fix reading of long lines, and add an ASE test with a long header line
#10
bernstei
closed
1 year ago
1
Comparison between this and `ase.io.read`/`write`
#9
Linux-cpp-lisp
opened
2 years ago
2
lammps
#8
stenczelt
opened
2 years ago
0
Fix parsing of floats that run together in a backward compatible array
#7
bernstei
closed
2 years ago
5
Incorrect parsing of badly formatted lattice with 8 entries
#6
jameskermode
closed
2 years ago
1
Round-tripping string values that look like backward compatible arrays
#5
Luthaf
opened
2 years ago
9
Ambiguity in the grammar between quoted strings and backward compatible arrays
#4
Luthaf
closed
2 years ago
6
refactor code so that it can be used to parse standalone lines
#3
bernstei
opened
2 years ago
1
Create LICENSE
#2
jameskermode
closed
3 years ago
0
Pytest-based unit testing
#1
bernstei
closed
3 years ago
0