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compare: scemama:a3d0f2f921f920d7021d642646b477b100022c9c
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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
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1
devel/cassdtq/NEED
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@ -1,3 +1,4 @@
cipsi cipsi
selectors_full selectors_full
davidson_undressed

4
devel/trexio/export_trexio.irp.f
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@ -19,6 +19,9 @@ subroutine run
print *, 'TREXIO file : '//trim(trexio_filename) print *, 'TREXIO file : '//trim(trexio_filename)
print *, '' 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 if (backend == 0) then
f = trexio_open(trexio_filename, 'w', TREXIO_HDF5, rc) f = trexio_open(trexio_filename, 'w', TREXIO_HDF5, rc)
else if (backend == 1) then else if (backend == 1) then
@ -26,6 +29,7 @@ subroutine run
endif endif
if (f == 0) then if (f == 0) then
print *, 'Unable to open TREXIO file for writing' print *, 'Unable to open TREXIO file for writing'
print *, 'rc = ', rc
stop -1 stop -1
endif endif

1
stable/cassd/NEED
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@ -1,3 +1,4 @@
cipsi cipsi
generators_cas generators_cas
selectors_cassd selectors_cassd
davidson_undressed