Skip to content

Commit

Permalink
Merge pull request #76 from hphratchian/master
Browse files Browse the repository at this point in the history 
Updated version to 24.6.0.
  • Loading branch information
@hphratchian
hphratchian authored Jun 21, 2024
2 parents fdc9bdd + 87ad41e commit 83abb4a
Show file tree
Hide file tree
Showing 14 changed files with 33 additions and 29 deletions.
6 changes: 5 additions & 1 deletion releaseNotes.txt
View file
Original file line number Diff line number Diff line change
Expand Up @@ -8,6 +8,11 @@ number updates will be documented here. Note that the minor version number
will often be updated near the start of the month and the revision number
in that case will be set to 0.

June 20, 2024
* MQCPack version set to 24.6.0.
* Small bug and minor feature updates.
* Added command line real reading function: mqc_get_command_argument_real

March 30, 2024
* MQCPack version set to 24.3.1.
* Multiple bug fixes between prior version and this one.
Expand All @@ -25,7 +30,6 @@ February 19, 2024
* LT has added new functionality to the CI matrix element building
procedures.


February 8, 2024
* MQCPack version set to 24.2.0.
* HPH qdded the binary object module, mqc_binary.F03, to the src directory. It
Expand Down
4 changes: 2 additions & 2 deletions src/mqc_FullWavefunction.F03
View file
Original file line number Diff line number Diff line change
Expand Up @@ -11,8 +11,8 @@ module MQC_FullWavefunction
! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. **
! ** Hratchian **
! ** **
! ** Version 24.3.1 **
! ** March 30, 2024 **
! ** Version 24.6.0 **
! ** June 20, 2024 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
Expand Down
4 changes: 2 additions & 2 deletions src/mqc_algebra.F03
View file
Original file line number Diff line number Diff line change
Expand Up @@ -43,8 +43,8 @@ Module MQC_Algebra
! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. **
! ** Hratchian **
! ** **
! ** Version 24.3.1 **
! ** March 30, 2024 **
! ** Version 24.6.0 **
! ** June 20, 2024 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
Expand Down
4 changes: 2 additions & 2 deletions src/mqc_algebra2.F03
View file
Original file line number Diff line number Diff line change
Expand Up @@ -12,8 +12,8 @@ Module MQC_Algebra2
! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. **
! ** Hratchian **
! ** **
! ** Version 24.3.1 **
! ** March 30, 2024 **
! ** Version 24.6.0 **
! ** June 20, 2024 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
Expand Down
4 changes: 2 additions & 2 deletions src/mqc_binary.F03
View file
Original file line number Diff line number Diff line change
Expand Up @@ -10,8 +10,8 @@ module MQC_Binary
! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. **
! ** Hratchian **
! ** **
! ** Version 24.3.1 **
! ** March 30, 2024 **
! ** Version 24.6.0 **
! ** June 20, 2024 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
Expand Down
4 changes: 2 additions & 2 deletions src/mqc_datastructures.F03
View file
Original file line number Diff line number Diff line change
Expand Up @@ -10,8 +10,8 @@ Module MQC_DataStructures
! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. **
! ** Hratchian **
! ** **
! ** Version 24.3.1 **
! ** March 30, 2024 **
! ** Version 24.6.0 **
! ** June 20, 2024 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
Expand Down
4 changes: 2 additions & 2 deletions src/mqc_est.F03
View file
Original file line number Diff line number Diff line change
Expand Up @@ -38,8 +38,8 @@ Module MQC_EST
! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. **
! ** Hratchian **
! ** **
! ** Version 24.3.1 **
! ** March 30, 2024 **
! ** Version 24.6.0 **
! ** June 20, 2024 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
Expand Down
4 changes: 2 additions & 2 deletions src/mqc_files.F03
View file
Original file line number Diff line number Diff line change
Expand Up @@ -10,8 +10,8 @@ Module MQC_Files
! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. **
! ** Hratchian **
! ** **
! ** Version 24.3.1 **
! ** March 30, 2024 **
! ** Version 24.6.0 **
! ** June 20, 2024 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
Expand Down
4 changes: 2 additions & 2 deletions src/mqc_gaussian.F03
View file
Original file line number Diff line number Diff line change
Expand Up @@ -10,8 +10,8 @@ Module MQC_Gaussian
! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. **
! ** Hratchian **
! ** **
! ** Version 24.3.1 **
! ** March 30, 2024 **
! ** Version 24.6.0 **
! ** June 20, 2024 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
Expand Down
8 changes: 4 additions & 4 deletions src/mqc_general.F03
View file
Original file line number Diff line number Diff line change
Expand Up @@ -10,8 +10,8 @@ Module MQC_General
! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. **
! ** Hratchian **
! ** **
! ** Version 24.3.1 **
! ** March 30, 2024 **
! ** Version 24.6.0 **
! ** June 20, 2024 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
Expand Down Expand Up @@ -172,9 +172,9 @@ subroutine mqc_version(major,minor,revision,versionString)
character(len=*),OPTIONAL,intent(out)::versionString
!
if(PRESENT(major)) major = 24
if(PRESENT(minor)) minor = 3
if(PRESENT(minor)) minor = 6
if(PRESENT(revision)) revision = 0
if(PRESENT(versionString)) versionString = '24.3.0'
if(PRESENT(versionString)) versionString = '24.6.0'
!
return
end subroutine mqc_version
Expand Down
4 changes: 2 additions & 2 deletions src/mqc_general_lapack.F03
View file
Original file line number Diff line number Diff line change
Expand Up @@ -9,8 +9,8 @@
! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. **
! ** Hratchian **
! ** **
! ** Version 24.3.1 **
! ** March 30, 2024 **
! ** Version 24.6.0 **
! ** June 20, 2024 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
Expand Down
4 changes: 2 additions & 2 deletions src/mqc_interface.F03
View file
Original file line number Diff line number Diff line change
Expand Up @@ -9,8 +9,8 @@
! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. **
! ** Hratchian **
! ** **
! ** Version 24.3.1 **
! ** March 30, 2024 **
! ** Version 24.6.0 **
! ** June 20, 2024 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
Expand Down
4 changes: 2 additions & 2 deletions src/mqc_matwrapper.F03
View file
Original file line number Diff line number Diff line change
Expand Up @@ -11,8 +11,8 @@ Module MQC_MatWrapper
! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. **
! ** Hratchian **
! ** **
! ** Version 24.3.1 **
! ** March 30, 2024 **
! ** Version 24.6.0 **
! ** June 20, 2024 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
Expand Down
4 changes: 2 additions & 2 deletions src/mqc_molecule.F03
View file
Original file line number Diff line number Diff line change
Expand Up @@ -10,8 +10,8 @@ Module MQC_Molecule
! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. **
! ** Hratchian **
! ** **
! ** Version 24.3.1 **
! ** March 30, 2024 **
! ** Version 24.6.0 **
! ** June 20, 2024 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
Expand Down

0 comments on commit 83abb4a

Please sign in to comment.