LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2025-01-05 02:48:54 +01:00
Code Issues Releases Wiki Activity

Merge branch 'master' of github.com:LCPQ/quantum_package

Browse Source 
Conflicts:
	data/list_element.txt
	plugins/Symmetry/aos.irp.f
	plugins/Symmetry/find_sym.irp.f
This commit is contained in:
Anthony Scemama 2017-12-19 18:32:31 +01:00
commit 65dbaf64c2
1 changed files with 1 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

1
plugins/Symmetry/aos.irp.f
View File

@ -48,6 +48,7 @@ subroutine compute_sym_ao_values(sym_points, n_sym_points, result)
double precision :: x, y, z double precision :: x, y, z
double precision :: x2, y2, z2 double precision :: x2, y2, z2
integer :: k integer :: k
result (:,:) = 0.d0 result (:,:) = 0.d0
print *, sym_molecule_rotation_inv print *, sym_molecule_rotation_inv
print *, '' print *, ''