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Issues list

Energy File Reading with list of input files feature New feature or request
#112 opened Aug 6, 2024 by Lucky-Armin
Case sensitivity for xyz2gen and gen2xyz CLI tools feature New feature or request
#105 opened Jun 19, 2024 by Lucky-Armin
Thermal Expansion Coefficient feature New feature or request
#95 opened Jun 4, 2024 by 97gamjak
Continue_input feature New feature or request
#90 opened Jun 1, 2024 by 97gamjak
Adjust relative tolerance based on input enhancement only for internal usage
#75 opened May 30, 2024 by 97gamjak
Extend FrameReader to be only a special case of a base class feature New feature or request
#68 opened May 16, 2024 by 97gamjak
Implement ExtXYZ Reader feature New feature or request
#64 opened May 14, 2024 by 97gamjak
Logger Stacktrace external
#44 opened May 7, 2024 by 97gamjak
RDFLogFile enhancement only for internal usage
#42 opened May 6, 2024 by 97gamjak
Units package feature New feature or request
#27 opened Apr 29, 2024 by 97gamjak
Add box reader
#13 opened Apr 21, 2024 by galjos
input file read qmcfc feature New feature or request
#10 opened Dec 24, 2023 by 97gamjak
Calculate Simulation Time feature New feature or request
#9 opened Nov 28, 2023 by galjos
ProTip! Exclude everything labeled bug with -label:bug.