scemama/qp_plugins_scemama
1
0
Fork 0
mirror of https://gitlab.com/scemama/qp_plugins_scemama.git synced 2024-10-06 08:15:59 +02:00
Code Issues Releases Wiki Activity

Compare commits

base: scemama:e485e512f726d48b58c690aa70cb5461fcaf69c6
Branches Tags
scemama:master
...
compare: scemama:a3d0f2f921f920d7021d642646b477b100022c9c
Branches Tags
scemama:master

4 Commits
e485e512f7 ... a3d0f2f921

Author SHA1 Message Date
Anthony Scemama
a3d0f2f921 Merge branch 'master' of gitlab.com:scemama/qp_plugins_scemama 2021-12-17 19:28:48 +01:00
Anthony Scemama
ee3c6e080c Modernization 2021-12-17 19:28:01 +01:00
Anthony Scemama
8094f81c72 Merge branch 'master' of gitlab.com:scemama/qp_plugins_scemama 2021-10-12 16:00:32 +02:00
Anthony Scemama
be17a1cc0d Fix trexio 2021-10-12 16:00:27 +02:00
3 changed files with 7 additions and 1 deletions
Show Stats Expand all files Collapse all files

3
devel/cassdtq/NEED
View File

@ -1,3 +1,4 @@
cipsi
cipsi
selectors_full
davidson_undressed

4
devel/trexio/export_trexio.irp.f
View File

@ -19,6 +19,9 @@ subroutine run
print *, 'TREXIO file : '//trim(trexio_filename)
print *, ''
call system('rm -rf '//trim(trexio_filename)//'.bak')
call system('mv '//trim(trexio_filename)//' '//trim(trexio_filename)//'.bak')
! call system('mv '//trim(trexio_filename)//' '//trim(trexio_filename)''//.bak)
if (backend == 0) then
f = trexio_open(trexio_filename, 'w', TREXIO_HDF5, rc)
else if (backend == 1) then
@ -26,6 +29,7 @@ subroutine run
endif
if (f == 0) then
print *, 'Unable to open TREXIO file for writing'
print *, 'rc = ', rc
stop -1
endif

1
stable/cassd/NEED
View File

@ -1,3 +1,4 @@
cipsi
generators_cas
selectors_cassd
davidson_undressed