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Updates to 26.7.1. #119

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Merged
hphratchian merged 2 commits into from
Jul 14, 2026
Merged

Updates to 26.7.1. #119

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a16c89e
Updates to 26.7.1, including writing characters to FAFs.
hphratchian Jul 14, 2026
48d208d
Merge branch 'HratchianGroup:master' into master
hphratchian Jul 14, 2026
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2 changes: 1 addition & 1 deletion .other_libs/build_fcns/configure.ac_FormCHK
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@@ -1,4 +1,4 @@
AC_INIT([MQC_Pack], [26.7.0], [hhratchian@ucmerced.edu])
AC_INIT([MQC_Pack], [26.7.1], [hhratchian@ucmerced.edu])
AM_INIT_AUTOMAKE([foreign])
AC_CONFIG_SRCDIR([src/mqc_general.F03])
AC_PROG_CPP
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2 changes: 1 addition & 1 deletion .other_libs/build_fcns/configure.ac_MatrixFile
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@@ -1,4 +1,4 @@
AC_INIT([MQC_Pack], [26.7.0], [hhratchian@ucmerced.edu])
AC_INIT([MQC_Pack], [26.7.1], [hhratchian@ucmerced.edu])
AM_INIT_AUTOMAKE([foreign])
AC_CONFIG_SRCDIR([src/mqc_general.F03])
AC_LANG([Fortran])
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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -16,7 +16,7 @@
** **
** The Merced Quantum Chemistry Package **
** (MQCPack) **
** Version 26.7.0 **
** Version 26.7.1 **
** July 13, 2026 **
** **
** **
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15 changes: 15 additions & 0 deletions releaseNotes.txt
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Expand Up @@ -8,6 +8,21 @@ 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.

July 13, 2026
* MQCPack version set to 26.7.1.
* Added support for writing character scalar and fixed-width vector
MQC_Variable objects to Gaussian FAF/MatrixFile files through
MQC_Gaussian_Unformatted_Matrix_File%writeArray2.
* Added support for reading character scalar and fixed-width vector
MQC_Variable objects from Gaussian FAF/MatrixFile files through
MQC_Gaussian_Unformatted_Matrix_File%getArray.
* Added character scalar and vector support to the mqc_print and
mqc_print_mqcvariable interfaces.
* Added defined assignment for MQC_Gaussian_Unformatted_Matrix_File objects,
copying persistent metadata while leaving the destination disconnected.
* Improved FAF character-record compatibility, layout handling, file-unit
cleanup, and Gaussian-scalar caching.

July 13, 2026
* MQCPack version set to 26.7.0.
* Added character handling to MQC_Variable objects in MQC_Algebra2.
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2 changes: 1 addition & 1 deletion src/mqc_FullWavefunction.F03
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Expand Up @@ -11,7 +11,7 @@ module MQC_FullWavefunction
! ** Lee M. Thompson, Xianghai Sheng, Andrew D. Mahler, Dave **
! ** Mullally, and Hrant P. Hratchian **
! ** **
! ** Version 26.7.0 **
! ** Version 26.7.1 **
! ** July 13, 2026 **
! ** **
! ** **
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2 changes: 1 addition & 1 deletion src/mqc_algebra.F03
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Expand Up @@ -43,7 +43,7 @@ Module MQC_Algebra
! ** Lee M. Thompson, Xianghai Sheng, Andrew D. Mahler, Dave **
! ** Mullally, and Hrant P. Hratchian **
! ** **
! ** Version 26.7.0 **
! ** Version 26.7.1 **
! ** July 13, 2026 **
! ** **
! ** **
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2 changes: 1 addition & 1 deletion src/mqc_algebra2.F03
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Expand Up @@ -12,7 +12,7 @@ Module MQC_Algebra2
! ** Lee M. Thompson, Xianghai Sheng, Andrew D. Mahler, Dave **
! ** Mullally, and Hrant P. Hratchian **
! ** **
! ** Version 26.7.0 **
! ** Version 26.7.1 **
! ** July 13, 2026 **
! ** **
! ** **
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2 changes: 1 addition & 1 deletion src/mqc_binary.F03
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Expand Up @@ -10,7 +10,7 @@ module MQC_Binary
! ** Lee M. Thompson, Xianghai Sheng, Andrew D. Mahler, Dave **
! ** Mullally, and Hrant P. Hratchian **
! ** **
! ** Version 26.7.0 **
! ** Version 26.7.1 **
! ** July 13, 2026 **
! ** **
! ** **
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2 changes: 1 addition & 1 deletion src/mqc_datastructures.F03
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Expand Up @@ -10,7 +10,7 @@ Module MQC_DataStructures
! ** Lee M. Thompson, Xianghai Sheng, Andrew D. Mahler, Dave **
! ** Mullally, and Hrant P. Hratchian **
! ** **
! ** Version 26.7.0 **
! ** Version 26.7.1 **
! ** July 13, 2026 **
! ** **
! ** **
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2 changes: 1 addition & 1 deletion src/mqc_est.F03
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Expand Up @@ -38,7 +38,7 @@ Module MQC_EST
! ** Lee M. Thompson, Xianghai Sheng, Andrew D. Mahler, Dave **
! ** Mullally, and Hrant P. Hratchian **
! ** **
! ** Version 26.7.0 **
! ** Version 26.7.1 **
! ** July 13, 2026 **
! ** **
! ** **
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2 changes: 1 addition & 1 deletion src/mqc_files.F03
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Expand Up @@ -10,7 +10,7 @@ Module MQC_Files
! ** Lee M. Thompson, Xianghai Sheng, Andrew D. Mahler, Dave **
! ** Mullally, and Hrant P. Hratchian **
! ** **
! ** Version 26.7.0 **
! ** Version 26.7.1 **
! ** July 13, 2026 **
! ** **
! ** **
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