Ecosyste.ms: Issues

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GitHub / openchemistry/avogadrodata issues and pull requests

#12 - Add 1FDT.mmtf, required by new MMTF test

Pull Request - State: closed - Opened by aerkiaga over 2 years ago

#11 - Add 1FDT.pdb, required by avogadrolibs PDB test

Pull Request - State: closed - Opened by aerkiaga over 2 years ago

#10 - Added MMTF test case

Pull Request - State: closed - Opened by frodofine over 6 years ago

#9 - Adding PDB trajectory example

Pull Request - State: closed - Opened by badarsh2 over 6 years ago

#8 - Adding VASP trajectory example

Pull Request - State: closed - Opened by badarsh2 over 6 years ago

#7 - Adding OpenMM dcd trajectory example

Pull Request - State: closed - Opened by badarsh2 over 6 years ago

#6 - Adding GROMACS trr trajectory example

Pull Request - State: closed - Opened by badarsh2 over 6 years ago

#5 - Adding LAMMPS trajectory dump example

Pull Request - State: closed - Opened by badarsh2 over 6 years ago

#4 - Added conventional and primitive corundum examples

Pull Request - State: closed - Opened by psavery over 8 years ago - 1 comment

#3 - Added an example of a POSCAR file.

Pull Request - State: closed - Opened by psavery over 8 years ago - 2 comments

#2 - Add example Gaussian FCHK files

Pull Request - State: closed - Opened by bryce-anderson over 9 years ago - 1 comment

#2 - Add example Gaussian FCHK files

Pull Request - State: closed - Opened by bryce-anderson over 9 years ago - 1 comment

#1 - Add a non-square cube to avogadrodata/data

Pull Request - State: closed - Opened by chiroptical over 9 years ago