libAtoms/extxyz

Issues

• lammps

  #8 opened 3 years ago by stenczelt
  3

• C example reads the whole 2nd line as a comment

  #20 opened 6 months ago by stenczelt
  5

• C executable build failure on ARM Mac

  #19 opened 6 months ago by stenczelt
  5

• refactor code so that it can be used to parse standalone lines

  #3 opened 3 years ago by bernstei
  1

• Segfaults

  #15 opened a year ago by mfherbst
  10

• Register as ASE I/O plugin

  #18 opened a year ago by jameskermode
  0

• Parsing errors should be returned to Python, not printed on stderr

  #14 opened a year ago by jameskermode
  0

• 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 opened a year ago by Amitcuhp
  1

• Install on conda distrubution

  #13 opened 2 years ago by cpashartis
  3

• How to sort ase xyz file according to ascending order of energies

  #11 opened 2 years ago by Amitcuhp
  4

• Comparison between this and `ase.io.read`/`write`

  #9 opened 3 years ago by Linux-cpp-lisp
  2

• Incorrect parsing of badly formatted lattice with 8 entries

  #6 opened 3 years ago by jameskermode
  1

• Round-tripping string values that look like backward compatible arrays

  #5 opened 3 years ago by Luthaf
  9

• Ambiguity in the grammar between quoted strings and backward compatible arrays

  #4 opened 3 years ago by Luthaf
  6