LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-30 15:15:38 +01:00
Code Releases Activity

fixed sgn error in jast_deriv

Browse Source
This commit is contained in:
Abdallah Ammar 2023-10-18 23:53:47 +02:00
parent 03754f1d5f
commit 1b7463b86b
1 changed files with 2 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
src/non_h_ints_mu/jast_deriv.irp.f
View File

@ -57,7 +57,7 @@
r2(2) = final_grid_points_extra(2,jpoint) r2(2) = final_grid_points_extra(2,jpoint)
r2(3) = final_grid_points_extra(3,jpoint) r2(3) = final_grid_points_extra(3,jpoint)
call grad1_j12_mu(r1, r2, grad1_u2b) call grad1_j12_mu(r2, r1, grad1_u2b)
dx = grad1_u2b(1) dx = grad1_u2b(1)
dy = grad1_u2b(2) dy = grad1_u2b(2)
@ -100,7 +100,7 @@
v1b_r2 = j1b_nucl(r2) v1b_r2 = j1b_nucl(r2)
u2b_r12 = j12_mu(r1, r2) u2b_r12 = j12_mu(r1, r2)
call grad1_j12_mu(r1, r2, grad1_u2b) call grad1_j12_mu(r2, r1, grad1_u2b)
dx = (grad1_u2b(1) * v1b_r1 + u2b_r12 * grad1_v1b(1)) * v1b_r2 dx = (grad1_u2b(1) * v1b_r1 + u2b_r12 * grad1_v1b(1)) * v1b_r2
dy = (grad1_u2b(2) * v1b_r1 + u2b_r12 * grad1_v1b(2)) * v1b_r2 dy = (grad1_u2b(2) * v1b_r1 + u2b_r12 * grad1_v1b(2)) * v1b_r2