TREX/qmckl
1
0
Fork 0
mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-12-22 20:36:01 +01:00
Code Issues Projects Releases Wiki Activity

Fixed ee_distances_rescaled_deriv_e.

Browse Source
This commit is contained in:
v1j4y 2022-02-11 15:37:55 +01:00
parent 88e2f62d7f
commit 3348781cc2
1 changed files with 4 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

8
org/qmckl_jastrow.org
View File

@ -1999,10 +1999,10 @@ integer function qmckl_compute_factor_ee_deriv_e_f(context, walk_num, elec_num,
xinv = 1.0d0 / (x + 1.0d-18) xinv = 1.0d0 / (x + 1.0d-18)
ipar = 1 ipar = 1
dx(ii) = ee_distance_rescaled_deriv_e(1, i, j, nw) & dx(1) = ee_distance_rescaled_deriv_e(1, i, j, nw)
+ ee_distance_rescaled_deriv_e(2, i, j, nw) & dx(2) = ee_distance_rescaled_deriv_e(2, i, j, nw)
+ ee_distance_rescaled_deriv_e(3, i, j, nw) & dx(3) = ee_distance_rescaled_deriv_e(3, i, j, nw)
+ ee_distance_rescaled_deriv_e(4, i, j, nw) dx(4) = ee_distance_rescaled_deriv_e(4, i, j, nw)
if((i .LE. up_num .AND. j .LE. up_num ) .OR. & if((i .LE. up_num .AND. j .LE. up_num ) .OR. &
(i .GT. up_num .AND. j .GT. up_num)) then (i .GT. up_num .AND. j .GT. up_num)) then