Commits

History for

Commits on Jan 13, 2024

Add changes to allow compilation
jmaglic
committedJan 13, 2024

Commits on Apr 15, 2023

Remove unused functions from Vector
jmaglic
committedApr 15, 2023

Commits on Apr 12, 2023

Replace const double reference with double
jmaglic
committedApr 12, 2023

Commits on Apr 10, 2023

Implement unit test for atom struct constructors
jmaglic
committedApr 10, 2023
Move atom struct definition to cpp file
jmaglic
committedApr 10, 2023

Commits on Nov 15, 2022

Merge pull request #131 from molovol/Cell-border-fix
jmaglic
committedNov 15, 2022

Commits on Oct 9, 2022

add info for users
rlavendomme
committedOct 9, 2022

Commits on Sep 9, 2022

fix duplicate atoms at the border
rlavendomme
committedSep 9, 2022

Commits on Aug 17, 2022

add reference in report
rlavendomme
committedAug 17, 2022

Commits on Aug 13, 2022

add note to report
rlavendomme
committedAug 13, 2022
add pymol info
rlavendomme
committedAug 13, 2022
add Vmol to report summary
rlavendomme
committedAug 13, 2022

Commits on Jul 7, 2022

Commits on Jul 5, 2022

Add function to evaluate atom occurences
jmaglic
committedJul 5, 2022

Commits on Jul 4, 2022

fix minor typo
rlavendomme
committedJul 4, 2022

Commits on Jun 29, 2022

Add unit test in CMake
jmaglic
committedJun 29, 2022

Commits on Jun 26, 2022

Treat charged atoms as uncharged in chemical formula
jmaglic
committedJun 26, 2022
Change default radius for atoms w/ unknown charges
jmaglic
committedJun 26, 2022

Commits on Jun 19, 2022

Append charge to element symbol in PDB file import
jmaglic
committedJun 19, 2022
Fix issue where PDB files are incorrectly imported
jmaglic
committedJun 19, 2022
Fix crash when loading an invalid elements file
jmaglic
committedJun 19, 2022

Commits on Jun 10, 2022

Move exception throws for structure file import
jmaglic
committedJun 10, 2022

Commits on Jun 9, 2022

Move CIF import function to FileMngr and add Cryst
jmaglic
committedJun 9, 2022
Rename file manager to import manager
jmaglic
committedJun 9, 2022

Commits on Jun 8, 2022

Add PDB import function to file manager namespace
jmaglic
committedJun 8, 2022
Create new namespace for import functions
jmaglic
committedJun 8, 2022
Fix mistake in try-catch block
jmaglic
committedJun 8, 2022
Return crystallographic data when importing CIF
jmaglic
committedJun 8, 2022

Commits on Jun 6, 2022

Revert incorrect bug fix
jmaglic
committedJun 6, 2022
Remove global variables and potential bug fix
jmaglic
committedJun 6, 2022
Replace if/else with terniary operator
jmaglic
committedJun 6, 2022