diff --git a/README.md b/README.md index f3f77ef6..467ad828 100644 --- a/README.md +++ b/README.md @@ -13,10 +13,10 @@ ** |__/ |__/\____ $$$\______/|__/ \_______/\_______|__/ \__/ ** ** \__/ ** ** ** - ** The Merced Quantum Chemistry Package ** - ** (MQCPack) ** - ** Version 24.2.2 ** - ** Feburary 19, 2024 ** + ** The Merced Quantum Chemistry Package ** + ** (MQCPack) ** + ** Version 24.3.0 ** + ** March 29, 2024 ** ** ** ** ** ** Written By: ** diff --git a/src/mqc_FullWavefunction.F03 b/src/mqc_FullWavefunction.F03 index 81604ff9..177f6589 100644 --- a/src/mqc_FullWavefunction.F03 +++ b/src/mqc_FullWavefunction.F03 @@ -11,8 +11,8 @@ module MQC_FullWavefunction ! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. ** ! ** Hratchian ** ! ** ** -! ** Version 24.2.2 ** -! ** Feburary 19, 2024 ** +! ** Version 24.3.0 ** +! ** March 29, 2024 ** ! ** ** ! ** ** ! ** Modules beloning to MQCPack: ** diff --git a/src/mqc_algebra.F03 b/src/mqc_algebra.F03 index 1a47ed88..46380fb1 100644 --- a/src/mqc_algebra.F03 +++ b/src/mqc_algebra.F03 @@ -43,8 +43,8 @@ Module MQC_Algebra ! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. ** ! ** Hratchian ** ! ** ** -! ** Version 24.2.2 ** -! ** Feburary 19, 2024 ** +! ** Version 24.3.0 ** +! ** March 29, 2024 ** ! ** ** ! ** ** ! ** Modules beloning to MQCPack: ** diff --git a/src/mqc_algebra2.F03 b/src/mqc_algebra2.F03 index 60379131..a3ffd092 100644 --- a/src/mqc_algebra2.F03 +++ b/src/mqc_algebra2.F03 @@ -12,8 +12,8 @@ Module MQC_Algebra2 ! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. ** ! ** Hratchian ** ! ** ** -! ** Version 24.2.2 ** -! ** Feburary 19, 2024 ** +! ** Version 24.3.0 ** +! ** March 29, 2024 ** ! ** ** ! ** ** ! ** Modules beloning to MQCPack: ** diff --git a/src/mqc_binary.F03 b/src/mqc_binary.F03 index 4f48c1b4..3e7a29ed 100644 --- a/src/mqc_binary.F03 +++ b/src/mqc_binary.F03 @@ -10,8 +10,8 @@ module MQC_Binary ! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. ** ! ** Hratchian ** ! ** ** -! ** Version 24.2.2 ** -! ** Feburary 19, 2024 ** +! ** Version 24.3.0 ** +! ** March 29, 2024 ** ! ** ** ! ** ** ! ** Modules beloning to MQCPack: ** diff --git a/src/mqc_datastructures.F03 b/src/mqc_datastructures.F03 index f3752929..6c4b0758 100644 --- a/src/mqc_datastructures.F03 +++ b/src/mqc_datastructures.F03 @@ -10,8 +10,8 @@ Module MQC_DataStructures ! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. ** ! ** Hratchian ** ! ** ** -! ** Version 24.2.2 ** -! ** Feburary 19, 2024 ** +! ** Version 24.3.0 ** +! ** March 29, 2024 ** ! ** ** ! ** ** ! ** Modules beloning to MQCPack: ** diff --git a/src/mqc_est.F03 b/src/mqc_est.F03 index c7e79118..f1dc9fe6 100644 --- a/src/mqc_est.F03 +++ b/src/mqc_est.F03 @@ -38,8 +38,8 @@ Module MQC_EST ! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. ** ! ** Hratchian ** ! ** ** -! ** Version 24.2.2 ** -! ** Feburary 19, 2024 ** +! ** Version 24.3.0 ** +! ** March 29, 2024 ** ! ** ** ! ** ** ! ** Modules beloning to MQCPack: ** diff --git a/src/mqc_files.F03 b/src/mqc_files.F03 index e9238f83..94fdb76a 100644 --- a/src/mqc_files.F03 +++ b/src/mqc_files.F03 @@ -10,8 +10,8 @@ Module MQC_Files ! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. ** ! ** Hratchian ** ! ** ** -! ** Version 24.2.2 ** -! ** Feburary 19, 2024 ** +! ** Version 24.3.0 ** +! ** March 29, 2024 ** ! ** ** ! ** ** ! ** Modules beloning to MQCPack: ** diff --git a/src/mqc_gaussian.F03 b/src/mqc_gaussian.F03 index e58b36a9..edd33c36 100644 --- a/src/mqc_gaussian.F03 +++ b/src/mqc_gaussian.F03 @@ -10,8 +10,8 @@ Module MQC_Gaussian ! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. ** ! ** Hratchian ** ! ** ** -! ** Version 24.2.2 ** -! ** Feburary 19, 2024 ** +! ** Version 24.3.0 ** +! ** March 29, 2024 ** ! ** ** ! ** ** ! ** Modules beloning to MQCPack: ** diff --git a/src/mqc_general.F03 b/src/mqc_general.F03 index da5873a1..6368435f 100644 --- a/src/mqc_general.F03 +++ b/src/mqc_general.F03 @@ -10,8 +10,8 @@ Module MQC_General ! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. ** ! ** Hratchian ** ! ** ** -! ** Version 24.2.2 ** -! ** Feburary 19, 2024 ** +! ** Version 24.3.0 ** +! ** March 29, 2024 ** ! ** ** ! ** ** ! ** Modules beloning to MQCPack: ** @@ -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 = 2 - if(PRESENT(revision)) revision = 2 - if(PRESENT(versionString)) versionString = '24.2.2' + if(PRESENT(minor)) minor = 3 + if(PRESENT(revision)) revision = 0 + if(PRESENT(versionString)) versionString = '24.3.0' ! return end subroutine mqc_version diff --git a/src/mqc_general_lapack.F03 b/src/mqc_general_lapack.F03 index ad859690..1563e99e 100644 --- a/src/mqc_general_lapack.F03 +++ b/src/mqc_general_lapack.F03 @@ -9,8 +9,8 @@ ! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. ** ! ** Hratchian ** ! ** ** -! ** Version 24.2.2 ** -! ** Feburary 19, 2024 ** +! ** Version 24.3.0 ** +! ** March 29, 2024 ** ! ** ** ! ** ** ! ** Modules beloning to MQCPack: ** diff --git a/src/mqc_interface.F03 b/src/mqc_interface.F03 index 81ca54c9..27ff8f5a 100644 --- a/src/mqc_interface.F03 +++ b/src/mqc_interface.F03 @@ -9,8 +9,8 @@ ! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. ** ! ** Hratchian ** ! ** ** -! ** Version 24.2.2 ** -! ** Feburary 19, 2024 ** +! ** Version 24.3.0 ** +! ** March 29, 2024 ** ! ** ** ! ** ** ! ** Modules beloning to MQCPack: ** diff --git a/src/mqc_matwrapper.F03 b/src/mqc_matwrapper.F03 index 249d4d1f..f334407f 100644 --- a/src/mqc_matwrapper.F03 +++ b/src/mqc_matwrapper.F03 @@ -11,8 +11,8 @@ Module MQC_MatWrapper ! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. ** ! ** Hratchian ** ! ** ** -! ** Version 24.2.2 ** -! ** Feburary 19, 2024 ** +! ** Version 24.3.0 ** +! ** March 29, 2024 ** ! ** ** ! ** ** ! ** Modules beloning to MQCPack: ** diff --git a/src/mqc_molecule.F03 b/src/mqc_molecule.F03 index 30d2e825..1266de6c 100644 --- a/src/mqc_molecule.F03 +++ b/src/mqc_molecule.F03 @@ -10,8 +10,8 @@ Module MQC_Molecule ! ** Lee M. Thompson, Dave Mullaly, Xianghai Sheng, and Hrant P. ** ! ** Hratchian ** ! ** ** -! ** Version 24.2.2 ** -! ** Feburary 19, 2024 ** +! ** Version 24.3.0 ** +! ** March 29, 2024 ** ! ** ** ! ** ** ! ** Modules beloning to MQCPack: **