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Updates to MQC_Integrals.F03 and increased the version number to 25.7.3. #112

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Merged
hphratchian merged 1 commit into from
Jul 31, 2025
Merged

Updates to MQC_Integrals.F03 and increased the version number to 25.7.3. #112

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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], [25.7.2], [hhratchian@ucmerced.edu])
AC_INIT([MQC_Pack], [25.7.3], [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], [25.7.2], [hhratchian@ucmerced.edu])
AC_INIT([MQC_Pack], [25.7.3], [hhratchian@ucmerced.edu])
AM_INIT_AUTOMAKE([foreign])
AC_CONFIG_SRCDIR([src/mqc_general.F03])
AC_LANG([Fortran])
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4 changes: 2 additions & 2 deletions README.md
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Expand Up @@ -16,8 +16,8 @@
** **
** The Merced Quantum Chemistry Package **
** (MQCPack) **
** Version 25.7.2 **
** July 24, 2025 **
** Version 25.7.3 **
** July 30, 2025 **
** **
** **
** Written By: **
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4 changes: 4 additions & 0 deletions releaseNotes.txt
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Expand Up @@ -8,6 +8,10 @@ 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 30, 2025
* MQCPack version set to 25.7.3.
* Several updates to MQC_Integrals.

July 24, 2025
* MQCPack version set to 25.7.2.
* A couple of small updates to MQC_General.
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4 changes: 2 additions & 2 deletions src/mqc_FullWavefunction.F03
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Expand Up @@ -11,8 +11,8 @@ module MQC_FullWavefunction
! ** Lee M. Thompson, Xianghai Sheng, Andrew D. Mahler, Dave **
! ** Mullally, and Hrant P. Hratchian **
! ** **
! ** Version 25.7.2 **
! ** July 24, 2025 **
! ** Version 25.7.3 **
! ** July 30, 2025 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
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4 changes: 2 additions & 2 deletions src/mqc_algebra.F03
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Expand Up @@ -43,8 +43,8 @@ Module MQC_Algebra
! ** Lee M. Thompson, Xianghai Sheng, Andrew D. Mahler, Dave **
! ** Mullally, and Hrant P. Hratchian **
! ** **
! ** Version 25.7.2 **
! ** July 24, 2025 **
! ** Version 25.7.3 **
! ** July 30, 2025 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
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4 changes: 2 additions & 2 deletions src/mqc_algebra2.F03
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Expand Up @@ -12,8 +12,8 @@ Module MQC_Algebra2
! ** Lee M. Thompson, Xianghai Sheng, Andrew D. Mahler, Dave **
! ** Mullally, and Hrant P. Hratchian **
! ** **
! ** Version 25.7.2 **
! ** July 24, 2025 **
! ** Version 25.7.3 **
! ** July 30, 2025 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
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4 changes: 2 additions & 2 deletions src/mqc_binary.F03
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Expand Up @@ -10,8 +10,8 @@ module MQC_Binary
! ** Lee M. Thompson, Xianghai Sheng, Andrew D. Mahler, Dave **
! ** Mullally, and Hrant P. Hratchian **
! ** **
! ** Version 25.7.2 **
! ** July 24, 2025 **
! ** Version 25.7.3 **
! ** July 30, 2025 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
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4 changes: 2 additions & 2 deletions src/mqc_datastructures.F03
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Expand Up @@ -10,8 +10,8 @@ Module MQC_DataStructures
! ** Lee M. Thompson, Xianghai Sheng, Andrew D. Mahler, Dave **
! ** Mullally, and Hrant P. Hratchian **
! ** **
! ** Version 25.7.2 **
! ** July 24, 2025 **
! ** Version 25.7.3 **
! ** July 30, 2025 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
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4 changes: 2 additions & 2 deletions src/mqc_est.F03
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Expand Up @@ -38,8 +38,8 @@ Module MQC_EST
! ** Lee M. Thompson, Xianghai Sheng, Andrew D. Mahler, Dave **
! ** Mullally, and Hrant P. Hratchian **
! ** **
! ** Version 25.7.2 **
! ** July 24, 2025 **
! ** Version 25.7.3 **
! ** July 30, 2025 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
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4 changes: 2 additions & 2 deletions src/mqc_files.F03
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Expand Up @@ -10,8 +10,8 @@ Module MQC_Files
! ** Lee M. Thompson, Xianghai Sheng, Andrew D. Mahler, Dave **
! ** Mullally, and Hrant P. Hratchian **
! ** **
! ** Version 25.7.2 **
! ** July 24, 2025 **
! ** Version 25.7.3 **
! ** July 30, 2025 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
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4 changes: 2 additions & 2 deletions src/mqc_gaussian.F03
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Expand Up @@ -10,8 +10,8 @@ Module MQC_Gaussian
! ** Lee M. Thompson, Xianghai Sheng, Andrew D. Mahler, Dave **
! ** Mullally, and Hrant P. Hratchian **
! ** **
! ** Version 25.7.2 **
! ** July 24, 2025 **
! ** Version 25.7.3 **
! ** July 30, 2025 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
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8 changes: 4 additions & 4 deletions src/mqc_general.F03
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Expand Up @@ -10,8 +10,8 @@ Module MQC_General
! ** Lee M. Thompson, Xianghai Sheng, Andrew D. Mahler, Dave **
! ** Mullally, and Hrant P. Hratchian **
! ** **
! ** Version 25.7.2 **
! ** July 24, 2025 **
! ** Version 25.7.3 **
! ** July 30, 2025 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
Expand Down Expand Up @@ -180,8 +180,8 @@ subroutine mqc_version(major,minor,revision,versionString)
!
if(PRESENT(major)) major = 25
if(PRESENT(minor)) minor = 7
if(PRESENT(revision)) revision = 2
if(PRESENT(versionString)) versionString = '25.7.2'
if(PRESENT(revision)) revision = 3
if(PRESENT(versionString)) versionString = '25.7.3'
!
return
end subroutine mqc_version
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4 changes: 2 additions & 2 deletions src/mqc_general_lapack.F03
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Expand Up @@ -9,8 +9,8 @@
! ** Lee M. Thompson, Xianghai Sheng, Andrew D. Mahler, Dave **
! ** Mullally, and Hrant P. Hratchian **
! ** **
! ** Version 25.7.2 **
! ** July 24, 2025 **
! ** Version 25.7.3 **
! ** July 30, 2025 **
! ** **
! ** **
! ** Modules beloning to MQCPack: **
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