LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 21:03:56 +01:00
Code Issues Releases Wiki Activity

generate_h_apply buffer size_max 256->2048

Browse Source
This commit is contained in:
Yann Garniron 2015-12-18 12:10:33 +01:00
parent 57dbad99c3
commit 9c61d72fe8
1 changed files with 3 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

6
scripts/generate_h_apply.py
View File

@ -99,7 +99,7 @@ class H_apply(object):
deallocate(H_jj,iorder) deallocate(H_jj,iorder)
""" """
s["size_max"] = "256" s["size_max"] = "2048"
s["copy_buffer"] = """call copy_H_apply_buffer_to_wf s["copy_buffer"] = """call copy_H_apply_buffer_to_wf
if (s2_eig) then if (s2_eig) then
call make_s2_eigenfunction call make_s2_eigenfunction
@ -198,7 +198,7 @@ class H_apply(object):
!$ call omp_unset_lock(lck) !$ call omp_unset_lock(lck)
deallocate (e_2_pert_buffer, coef_pert_buffer) deallocate (e_2_pert_buffer, coef_pert_buffer)
""" """
self.data["size_max"] = "256" self.data["size_max"] = "2048"
self.data["initialization"] = """ self.data["initialization"] = """
PROVIDE psi_selectors_coef psi_selectors E_corr_per_selectors psi_det_sorted_bit PROVIDE psi_selectors_coef psi_selectors E_corr_per_selectors psi_det_sorted_bit
""" """
@ -265,7 +265,7 @@ class H_apply(object):
double precision, intent(inout) :: select_max_out""" double precision, intent(inout) :: select_max_out"""
self.data["params_post"] += ", select_max(min(i_generator,size(select_max,1)))" self.data["params_post"] += ", select_max(min(i_generator,size(select_max,1)))"
self.data["size_max"] = "256" self.data["size_max"] = "2048"
self.data["copy_buffer"] = """ self.data["copy_buffer"] = """
call copy_H_apply_buffer_to_wf call copy_H_apply_buffer_to_wf
if (s2_eig) then if (s2_eig) then