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.gitignore
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General CCSD
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2019-09-11 17:09:30 +02:00 |
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amplitudes.irp.f
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Using dgemm in r2_cc
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2019-09-19 16:19:11 +02:00 |
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antisymmetrize_ERI.irp.f
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fork CC from mveril and pfloos
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2019-09-09 16:51:15 +02:00 |
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cc.irp.f
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Guess amplitudes OK
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2019-09-10 13:35:20 +02:00 |
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CCSD_Ec_nc.irp.f
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Cleaning
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2019-09-14 15:07:26 +02:00 |
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CCSD.irp.f
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Cleaning
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2019-09-14 15:07:26 +02:00 |
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CCSDT.irp.f
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Removed t1, t2
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2019-09-14 14:25:53 +02:00 |
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curly_Fock.irp.f
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Optimized curly_W and Fock
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2019-09-23 20:03:13 +02:00 |
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curly_W.irp.f
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Optimized curly_W and Fock
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2019-09-23 20:03:13 +02:00 |
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denominators.irp.f
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General CCSD
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2019-09-11 17:09:30 +02:00 |
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dimensions.irp.f
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fork CC from mveril and pfloos
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2019-09-09 16:51:15 +02:00 |
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EZFIO.cfg
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Working on CC
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2019-09-09 17:48:01 +02:00 |
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form_abh.irp.f
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Removed nO nV
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2019-09-14 14:15:25 +02:00 |
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form_g.irp.f
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Removed nO nV
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2019-09-14 14:15:25 +02:00 |
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form_h.irp.f
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Removed nO nV
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2019-09-14 14:15:25 +02:00 |
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form_r2.irp.f
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Removed nO nV
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2019-09-14 14:15:25 +02:00 |
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form_T.irp.f
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Removed nO nV
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2019-09-14 14:15:25 +02:00 |
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form_tau_nc.irp.f
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Removed tau
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2019-09-14 14:32:41 +02:00 |
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form_taus_nc.irp.f
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Removed taus
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2019-09-14 14:28:30 +02:00 |
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form_ub.irp.f
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Removed t1, t2
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2019-09-14 14:25:53 +02:00 |
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form_ubb.irp.f
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Removed t1, t2
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2019-09-14 14:25:53 +02:00 |
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integral_batches.irp.f
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Using dgemm in r2_cc
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2019-09-19 16:19:11 +02:00 |
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Kronecker_delta.irp.f
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fork CC from mveril and pfloos
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2019-09-09 16:51:15 +02:00 |
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MP2.irp.f
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Removed nO nV
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2019-09-14 14:15:25 +02:00 |
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NEED
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General CCSD
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2019-09-11 17:09:30 +02:00 |
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r1_cc.irp.f
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Optimized curly_W and Fock
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2019-09-23 20:03:13 +02:00 |
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r2_cc.irp.f
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Dgemmized CC
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2019-09-23 17:47:55 +02:00 |
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README.rst
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fork CC from mveril and pfloos
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2019-09-09 16:51:15 +02:00 |
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save_energy.irp.f
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fork CC from mveril and pfloos
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2019-09-09 16:51:15 +02:00 |
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spatial_to_spin_ERI.irp.f
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Guess amplitudes OK
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2019-09-10 13:35:20 +02:00 |
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spatial_to_spin_MO.irp.f
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Added svdwf module
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2020-09-30 20:44:53 +02:00 |
