| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_tddfpt2_restart.F | 166 nao, nao_read, nspins, nspins_read, & local
215 READ (iunit) nstates_read, nspins_read, nao_read
225 IF (nao_read /= nao) THEN
227 CALL integer_to_string(nao_read, read_str)
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| H A D | kpoint_io.F | 383 INTEGER :: group, ic, image, ispin, nao, nao_read, natom_read, ni, nimages, nset_max, & local
408 READ (rst_unit) natom_read, nao_read, nset_max, nshell_max
411 IF (nao_read /= nao) THEN
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| H A D | xas_restart.F | 112 INTEGER :: group, handle, i, ia, ie, ispin, my_spin, nao, nao_read, nelectron, nexc_atoms, & local
207 READ (rst_unit) nao_read, nmo_read
208 IF (nao /= nao_read) &
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| H A D | qs_mo_io.F | 684 ishell_read, iso, ispin, lfomo_read, lmax, lshell, my_mult, nao, nao_read, natom_read, & local
707 READ (rst_unit) natom_read, nspin_read, nao_read, nset_max, nshell_max
734 IF (nao_read /= nao) THEN
736 " READ RESTART : WARNING : DIFFERENT # AOs ", nao, nao_read
755 ALLOCATE (vecbuffer_read(1, nao_read))
898 … IF (offset_read - 1 + iso .LT. 1 .OR. offset_read - 1 + iso .GT. nao_read) THEN
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | kpoint_io.F | 383 INTEGER :: group, ic, image, ispin, nao, nao_read, natom_read, ni, nimages, nset_max, & local
408 READ (rst_unit) natom_read, nao_read, nset_max, nshell_max
411 IF (nao_read /= nao) THEN
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| H A D | xas_restart.F | 112 INTEGER :: group, handle, i, ia, ie, ispin, my_spin, nao, nao_read, nelectron, nexc_atoms, & local
207 READ (rst_unit) nao_read, nmo_read
208 IF (nao /= nao_read) &
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| H A D | qs_mo_io.F | 684 ishell_read, iso, ispin, lfomo_read, lmax, lshell, my_mult, nao, nao_read, natom_read, & local
707 READ (rst_unit) natom_read, nspin_read, nao_read, nset_max, nshell_max
734 IF (nao_read /= nao) THEN
736 " READ RESTART : WARNING : DIFFERENT # AOs ", nao, nao_read
755 ALLOCATE (vecbuffer_read(1, nao_read))
898 … IF (offset_read - 1 + iso .LT. 1 .OR. offset_read - 1 + iso .GT. nao_read) THEN
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| H A D | qs_tddfpt2_methods.F | 3650 nao, nao_read, nspins, nspins_read, & local
3698 READ (iunit) nstates_read, nspins_read, nao_read
3708 IF (nao_read /= nao) THEN
3710 CALL integer_to_string(nao_read, read_str)
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