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c11dfed16b
quantum_package/src/Davidson
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Anthony Scemama c11dfed16b Improved convergence of multi-state
2016-11-21 21:42:28 +01:00
..
davidson_parallel.irp.f Removed all ipc between Fortran and OCaml 2016-10-18 23:45:44 +02:00
davidson_slave.irp.f Fixed openmp private/public bug in MRCC 2016-10-10 14:48:49 +02:00
diagonalization_hs2.irp.f Improved convergence of multi-state 2016-11-21 21:42:28 +01:00
diagonalization.irp.f Merge with Dr. Giner 2016-11-02 21:46:12 +01:00
diagonalize_CI.irp.f Avoid extra calculation of S2 2016-10-11 23:42:05 +02:00
diagonalize_restart_and_save_all_states.irp.f Merge with Dr. Giner 2016-11-02 21:46:12 +01:00
diagonalize_restart_and_save_lowest_state.irp.f Merge with Dr. Giner 2016-11-02 21:46:12 +01:00
diagonalize_restart_and_save_one_state.irp.f Merge with Dr. Giner 2016-11-02 21:46:12 +01:00
EZFIO.cfg Cleaned Davidson 2016-11-18 22:08:08 +01:00
guess_lowest_state.irp.f Added missing file 2016-09-22 22:16:14 +02:00
NEEDED_CHILDREN_MODULES Added missing file 2016-09-22 22:16:14 +02:00
parameters.irp.f Put davdison_sze_max in EZFIO 2016-11-16 13:43:59 +01:00
print_H_matrix_restart.irp.f Merge with Dr. Giner 2016-11-02 21:46:12 +01:00
u0Hu0.irp.f Introduced davidson_diag_hjj_sjj_mmap 2016-11-16 10:17:37 +01:00