comp-chem/NWChem
1
0
Fork 0
mirror of https://github.com/nwchemgit/nwchem.git synced 2026-07-27 21:55:30 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions 1

missed ga_destroy for 2d DM

Browse source
This commit is contained in:
edoapra 2023-08-02 14:09:02 -07:00
parent 7bf45177c9
commit ccf6a5ae39
No known key found for this signature in database
GPG key ID: 48E12DA1EDE9E1B0
1 changed files with 7 additions and 0 deletions
Download patch file Download diff file Expand all files Collapse all files

7
src/nwdft/lr_tddft_grad/tddft_grad_compute_g.F
View file

@ -1391,6 +1391,13 @@ c
if (.not.ga_destroy(g_rhs_xc(1)))
+ call errquit(pname//"could not destroy g_rhs_xc",0,GA_ERR)
c
if (xc_gotxc().and.(.not.dm3d)) then
do ip = 1, 2*ipol
if (.not.ga_destroy(g_dtmp(ip)))
1 call errquit(pname//"could not destroy g_dtmp_ao", 0,
2 GA_ERR)
enddo
endif
c
do ip = 1, ipol
if (.not.ga_destroy(g_d(0+ip)))