mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-23 04:43:50 +01:00
51 lines
1.9 KiB
Fortran
51 lines
1.9 KiB
Fortran
use bitmasks
|
|
BEGIN_SHELL [ /usr/bin/env python ]
|
|
from generate_h_apply import *
|
|
|
|
s = H_apply("mrcc")
|
|
s.data["parameters"] = ", delta_ij_, delta_ii_,Ndet_ref, Ndet_non_ref"
|
|
s.data["declarations"] += """
|
|
integer, intent(in) :: Ndet_ref,Ndet_non_ref
|
|
double precision, intent(in) :: delta_ij_(Ndet_ref,Ndet_non_ref,*)
|
|
double precision, intent(in) :: delta_ii_(Ndet_ref,*)
|
|
"""
|
|
s.data["keys_work"] = "call mrcc_dress(delta_ij_,delta_ii_,Ndet_ref,Ndet_non_ref,i_generator,key_idx,keys_out,N_int,iproc,key_mask)"
|
|
s.data["params_post"] += ", delta_ij_, delta_ii_, Ndet_ref, Ndet_non_ref"
|
|
s.data["params_main"] += "delta_ij_, delta_ii_, Ndet_ref, Ndet_non_ref"
|
|
s.data["decls_main"] += """
|
|
integer, intent(in) :: Ndet_ref,Ndet_non_ref
|
|
double precision, intent(in) :: delta_ij_(Ndet_ref,Ndet_non_ref,*)
|
|
double precision, intent(in) :: delta_ii_(Ndet_ref,*)
|
|
"""
|
|
s.data["finalization"] = ""
|
|
s.data["copy_buffer"] = ""
|
|
s.data["generate_psi_guess"] = ""
|
|
s.data["size_max"] = "3072"
|
|
print s
|
|
|
|
|
|
s = H_apply("mrcepa")
|
|
s.data["parameters"] = ", delta_ij_, delta_ii_,Ndet_ref, Ndet_non_ref"
|
|
s.data["declarations"] += """
|
|
integer, intent(in) :: Ndet_ref,Ndet_non_ref
|
|
double precision, intent(in) :: delta_ij_(Ndet_ref,Ndet_non_ref,*)
|
|
double precision, intent(in) :: delta_ii_(Ndet_ref,*)
|
|
"""
|
|
s.data["keys_work"] = "call mrcepa_dress(delta_ij_,delta_ii_,Ndet_ref,Ndet_non_ref,i_generator,key_idx,keys_out,N_int,iproc,key_mask)"
|
|
s.data["params_post"] += ", delta_ij_, delta_ii_, Ndet_ref, Ndet_non_ref"
|
|
s.data["params_main"] += "delta_ij_, delta_ii_, Ndet_ref, Ndet_non_ref"
|
|
s.data["decls_main"] += """
|
|
integer, intent(in) :: Ndet_ref,Ndet_non_ref
|
|
double precision, intent(in) :: delta_ij_(Ndet_ref,Ndet_non_ref,*)
|
|
double precision, intent(in) :: delta_ii_(Ndet_ref,*)
|
|
"""
|
|
s.data["finalization"] = ""
|
|
s.data["copy_buffer"] = ""
|
|
s.data["generate_psi_guess"] = ""
|
|
s.data["size_max"] = "3072"
|
|
# print s
|
|
|
|
|
|
END_SHELL
|
|
|