std2 version 2.0.0

MAJOR UPDATE including XsTD-DFT and XsTDA methods and changing the name from stda to std2

08.01.2024: Version 2.0.0:

- interfaced by default to libcint (magnetic moment one-electron integrals still computed with the old integral deck)
- XsTDA (restricted and unrestricted[only excited states]) for global hybrids and range-separated hybrids
- XsTD-DFT (restricted and unrestricted[only excited states]) for global hybrids and range-separated hybrids
- SF-XsTD-DFT for global hybrids
- CAM-B3LYP, wB97X-D2, wB97X-D3, wB97MV, SRC2R1, and SRC2R2 RSH functionals natively implemented with XsTD

Thanks to Dr Pierre Beaujean (@pierre-24) for his precious help with the integration with GFortran as well as for the 64 bits support.

stda version 1.6.3.3

Sign error in the response part of the calculation of 2PA strengths is corrected.
This correction only applied for sources.

stda version 1.6.3.2

Sources corrected for NTOs with dual threshold.
For binaries, see stda v1.6.3 tag without this option.

stda version 1.6.3.1

A missing coma is corrected in meson file.
This correction only applied for sources.
For binaries, see stda v1.6.3 tag.

stda version 1.6.3

Standalone version for stda version 1.6.3.
New features:

• Evaluation of the two-photon cross-sections (now fully working)
• RespA approach for the interpretation of molecular response properties
• Dual-threshold method for the efficient treatment of large systems
• Polarizability bug fixed

stda version 1.6.2

Standalone version for stda version 1.6.2.

New features:

• Evaluation of the molecular optical rotation
• <S**2> for spin-flip states
• Speed-up for the response function deck

Included xtb4stda and g2molden binaries.
Included qc2molden.sh bash script.

Note that for xtb4stda, parameter files should be included and the XTB4STDAHOME environment variable properly set. See https://github.com/grimme-lab/xtb4stda for more information.

stda version 1.6.1

! 20th August 2020 the version has been updated to 1.6.1.1 because a small bug has been corrected.

Standalone version for stda version 1.6.1.

Included xtb4stda and g2molden binaries.
Included qc2molden.sh bash script.

Note that for xtb4stda, parameter files should be included and the XTB4STDAHOME environment variable properly set. See https://github.com/grimme-lab/xtb4stda for more information.