Releases: fnevgeny/cfac
Releases · fnevgeny/cfac
cfac-1.7.0
This is a major release. Please note that it introduces a few backward-incompatible changes.
- Level names are now guaranteed to be unique within the same ion; a repeating (in the previous versions) name will now have one or more asterisks appended.
CorrectEnergy()now expects a file with levels identified by their names instead of indices.- By the end of calculations, a warning is issued if not all energy corrections have been applied.
- Improved calculations of CE between nearly degenerate levels.
- Atomic constants updated to their current CODATA values.
- The obsolete form of
Structure()is dropped. - Removed non-functional
SetTransitionMaxE/M()calls. - Removed
SetModName(). - Added
SetErrorOutput()function to redirect the error/warning messages to a file. - By default, the output is set to
stderr. UseSetErrorOutput('stdout')to restore the old behavior. - Mixed calculation mode is no longer marked as experimental.
Config()now accepts theutaflag.SetUTA()is marked as deprecated.- Added convenience
OptimizePotential()call combiningConfigEnergy(0),OptimizeRadial(), andConfigEnergy(1). - Added
RequireVersion(). - Alternative "per-ion" forms of several functions are documented.
- The SQLite DB now includes the
utaflag per level; format version changed to 4, one needs to recompile any code against the updated cfacdb library. - The
cfacdbuutility can detect whether (a subset of) a DB was prepared in the detailed, UTA, or mixed mode. - Fixed printing stats of multisession DB's.
- Various cosmetic fixes and documentation updates.
cfac-1.6.4
- Added check for identical/overlapping configurations
- Documentation of
ListConfig()updated - A few minor fixes
cFAC-1.6.3a
- Accelerate EB structure & sub-M ionization calculations
- Deal graciously with many non-fatal numerical issues
MemENTablecall can be omitted- Documentation updated, including the
cfacdbAPI
cFAC-1.6.2
CorrectEnergy()was broken by a recent change.SetCILevel(-1)was broken since 1.6.0.- Added
-hand-Vcommand line options for the help and version info, respectively. - Minor documentation fixes.
cfacdbuman page.
cFAC-1.6.1
- Fixed two bugs in the experimental mixed mode.
cFAC-1.6.0
- Implemented experimental mixed (UTA or detailed) mode of calculation, based on ideas of M. Belkhiri
- UTA fixes by M. Krief and A. Feigel
- Added SetSymmetry() as a recommended substitution for the second form of Structure()
- Dropped Asymmetry()
- Higher-n states can be calculated
- Collision rates, as calculated by the cfacdb library, can be cached in the database
- The cfacdb utility heavily rewritten; run with --help to see options
- Ported to MinGW
- Updated/improved documentation, including hyperrefs to functions
cFAC-1.5.0
- Restored UTA mode of calculation
- Added demos/tests for UTA
- Documentation updated
- Included chapter about the theory behind cFAC in the manual (based on papers/*)