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mirror of https://github.com/LCPQ/quantum_package synced 2024-09-27 03:51:01 +02:00

rm slave_cipsi

This commit is contained in:
Emmanuel Giner 2018-12-19 14:58:52 +01:00
parent de690db59c
commit c1a6002d8c

View File

@ -110,7 +110,6 @@ END_PROVIDER
&BEGIN_PROVIDER [ double precision, nucl_dist_vec_y, (nucl_num,nucl_num) ]
&BEGIN_PROVIDER [ double precision, nucl_dist_vec_z, (nucl_num,nucl_num) ]
&BEGIN_PROVIDER [ double precision, nucl_dist, (nucl_num,nucl_num) ]
&BEGIN_PROVIDER [ double precision, nucl_dist_inv, (nucl_num,nucl_num) ]
implicit none
BEGIN_DOC
! nucl_dist : Nucleus-nucleus distances
@ -138,14 +137,6 @@ END_PROVIDER
ASSERT (nucl_dist(ie1,ie2) > 0.d0)
enddo
enddo
do ie1 = 1, nucl_num
do ie2 = 1, nucl_num
if(ie1 == ie2)cycle
nucl_dist_inv(ie2,ie1) = 1.d0/nucl_dist(ie2,ie1)
enddo
enddo
END_PROVIDER
BEGIN_PROVIDER [ double precision, nuclear_repulsion ]