quantum_package/qmc_create_wf.irp.f at edd9add59ff4547c41a99f129d34b52efa79bcf4 - quantum_package - IRSAMC git-repository

LCPQ/quantum_package

mirror of https://github.com/LCPQ/quantum_package synced 2024-06-02 03:15:29 +02:00

Anthony Scemama f3b2bea214 Merged QMC modules (#208 )

* Fixed mmap

* Truncated wf a la QMC=Chem

* Merged QmcChem and qmcpack modules

2017-07-12 23:58:45 +02:00

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Fortran

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 program create_wf
   read_wf = .true.
   SOFT_TOUCH read_wf
   PROVIDE H_apply_buffer_allocated
   call generate_all_alpha_beta_det_products
   call diagonalize_ci
   call save_wavefunction
 end