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Chaos control - #173

Merged

jacharrym merged 18 commits into

masterfrom

chaos-control

Jun 24, 2026

Commits on May 29, 2026
- Fixed the timing for lowdin.x
  jacharrym
  committed
  e292d16
- Removed the omp parallelization for loading the two particles integrals from disk.
  jacharrym
  committed
  8b9ebc0
Commits on May 30, 2026
- I tried to implement a molecular orbital rotation
  jacharrym
  committed
  2e77c7f
Commits on Jun 1, 2026
- The dsyevr was bugged...
  jacharrym
  committed
  b27ea94
Commits on Jun 2, 2026
- Add logo
  jacharrym
  committed
  0b223da
- Allocate workspace based on length from workSpace
  jacharrym
  authored
  c81f3a7
Commits on Jun 23, 2026
- Added an option to include different lapack libraries
  jacharrym
  committed
  18d828f
- Added the option to set scratch folder from command line.
  jacharrym
  committed
  622ba73
Commits on Jun 24, 2026
- Renamed manual
  jacharrym
  committed
  4a025a7
- Update configure in-line options header
  jacharrym
  committed
  1b51ae2
- Adapting to fortran 2008 standard
  jacharrym
  committed
  0a053c3
- Merge pull request #172 from efposadac/stdf2088
  jacharrym
  authored
  ea1964c
- Update Lowdin configuration to include MKL flags
  jacharrym
  authored
  940fc49
- Update makefile.yml
  jacharrym
  authored
  af043c0
- Change Lowdin configuration option from 2 to 1
  jacharrym
  authored
  da21a6c
- Update makefile-ifx.yml
  jacharrym
  authored
  f242e12
- Change package name for OpenMP installation
  jacharrym
  authored
  2ecd9ac
- Removing instrinsic for loading omp_lib src/SCF/WaveFunction.f90
  jacharrym
  committed
  0d54b37

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Chaos control - #173

Chaos control#173
jacharrym merged 18 commits into
masterfrom
chaos-control

Commits on May 29, 2026

Fixed the timing for lowdin.x

Removed the omp parallelization for loading the two particles integrals from disk.

Commits on May 30, 2026

I tried to implement a molecular orbital rotation

Commits on Jun 1, 2026

The dsyevr was bugged...

Commits on Jun 2, 2026

Add logo

Allocate workspace based on length from workSpace

Commits on Jun 23, 2026

Added an option to include different lapack libraries

Added the option to set scratch folder from command line.

Commits on Jun 24, 2026

Renamed manual

Update configure in-line options header

Adapting to fortran 2008 standard

Merge pull request #172 from efposadac/stdf2088

Update Lowdin configuration to include MKL flags

Update makefile.yml

Change Lowdin configuration option from 2 to 1

Update makefile-ifx.yml

Change package name for OpenMP installation

Removing instrinsic for loading omp_lib src/SCF/WaveFunction.f90