Kevin Gasperich
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a632b6af56
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integral testing
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2020-01-30 11:16:04 -06:00 |
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Kevin Gasperich
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cc840cdbc1
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restructured mo_coef_complex provider; added mo_coef_real; maybe need to change ocaml?
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2020-01-29 16:23:00 -06:00 |
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Kevin Gasperich
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e805c52cab
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reminder to revisit save_mos for complex
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2020-01-28 17:26:22 -06:00 |
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Kevin Gasperich
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394b6ce404
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fixed problem with truncated mo_coef_imag save
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2020-01-27 13:38:29 -06:00 |
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Kevin Gasperich
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5eb1c17614
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added provider for complex mos; working on saving complex mos
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2020-01-27 13:36:13 -06:00 |
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Emmanuel Giner LCT
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4257399ca9
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Compatibility with EZFIO v1.6.0
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2019-10-24 21:41:54 +02:00 |
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Emmanuel Giner LCT
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502e787323
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added general svd for new mo
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2019-10-24 13:44:40 +02:00 |
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Emmanuel Giner
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99a3071489
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the casscf adapts
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2019-10-23 02:42:17 +02:00 |
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eginer
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b7992a11a9
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working ...
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2019-10-23 00:11:55 +02:00 |
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eginer
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713ef176a1
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natural orbitals of the super_ci works
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2019-10-22 20:00:19 +02:00 |
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24d9745056
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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