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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-27 06:43:48 +01:00
quantum_package/src/Davidson
2016-10-18 23:45:44 +02:00
..
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 Introduced QR in Davidson 2016-10-18 19:29:50 +02:00
diagonalization.irp.f Normalize in input of Davidson 2016-09-26 20:34:16 +02:00
diagonalize_CI_mono.irp.f Include S^2 inside davidson 2016-09-27 15:55:38 +02:00
diagonalize_CI.irp.f Avoid extra calculation of S2 2016-10-11 23:42:05 +02:00
EZFIO.cfg Corrected diagonalize_CI 2016-09-30 15:12:17 +02:00
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 FIxed Davidson 2016-09-25 22:14:17 +02:00
u0Hu0.irp.f The qp_run queue now pops from the back 2016-10-18 13:38:45 +02:00