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h2o_dip12.inp
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TDDFT Forces (beta version) (#1670)
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2021-10-11 18:13:50 +02:00 |
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h2o_dip13.inp
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TDDFT Forces (beta version) (#1670)
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2021-10-11 18:13:50 +02:00 |
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h2o_dip13b.inp
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TDDFT Forces (beta version) (#1670)
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2021-10-11 18:13:50 +02:00 |
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h2o_dip13c.inp
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TDDFT Forces (beta version) (#1670)
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2021-10-11 18:13:50 +02:00 |
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h2o_dip14.inp
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TDDFT Forces (beta version) (#1670)
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2021-10-11 18:13:50 +02:00 |
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h2o_dip15.inp
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TDDFT Forces (beta version) (#1670)
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2021-10-11 18:13:50 +02:00 |
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h2o_dip15b.inp
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TDDFT Forces (beta version) (#1670)
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2021-10-11 18:13:50 +02:00 |
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h2o_dip16.inp
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TDDFT Forces (beta version) (#1670)
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2021-10-11 18:13:50 +02:00 |
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h2o_dip16b.inp
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TDDFT Forces (beta version) (#1670)
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2021-10-11 18:13:50 +02:00 |
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h2o_dip17.inp
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TDDFT Forces (beta version) (#1670)
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2021-10-11 18:13:50 +02:00 |
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h2o_dip18.inp
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TDDFT Forces (beta version) (#1670)
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2021-10-11 18:13:50 +02:00 |
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h2o_dip19.inp
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TDDFT Forces (beta version) (#1670)
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2021-10-11 18:13:50 +02:00 |
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h2o_dip20.inp
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Keyword to enable explicit switching off of sTDA exchange (#1805)
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2021-12-15 14:13:14 +01:00 |
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h2o_dip21.inp
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Keyword to enable explicit switching off of sTDA exchange (#1805)
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2021-12-15 14:13:14 +01:00 |
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h2o_dip22.inp
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Keyword to enable explicit switching off of sTDA exchange (#1805)
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2021-12-15 14:13:14 +01:00 |
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h2o_dip23.inp
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TDDFT Forces (beta version) (#1670)
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2021-10-11 18:13:50 +02:00 |
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h2o_dip24.inp
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Ajust regtests and coding conventions (#1673)
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2021-10-12 18:53:18 +02:00 |
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h2o_dip25.inp
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Keyword to enable explicit switching off of sTDA exchange (#1805)
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2021-12-15 14:13:14 +01:00 |
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h2o_dip26.inp
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EC| Add print section for EC properties
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2021-12-07 14:59:02 +01:00 |
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h2o_dip27.inp
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EC| Add print section for EC properties
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2021-12-07 14:59:02 +01:00 |
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h2o_dip28.inp
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EC| Add print section for EC properties
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2021-12-07 14:59:02 +01:00 |
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h2o_dip29.inp
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EC| Add print section for EC properties
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2021-12-07 14:59:02 +01:00 |
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h2o_dip30.inp
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EC| Add print section for EC properties
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2021-12-07 14:59:02 +01:00 |
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h2o_dip31.inp
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EC| Add print section for EC properties
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2021-12-07 14:59:02 +01:00 |
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h2o_dip32.inp
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EC| Add print section for EC properties
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2021-12-07 14:59:02 +01:00 |
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h2o_dip33.inp
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EC| Add print section for EC properties
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2021-12-07 14:59:02 +01:00 |
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h2o_dip34.inp
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EC| Add print section for EC properties
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2021-12-07 14:59:02 +01:00 |
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h2o_dip35.inp
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TDDFT Forces (beta version) (#1670)
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2021-10-11 18:13:50 +02:00 |
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h2o_dip36.inp
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TDDFT Forces (beta version) (#1670)
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2021-10-11 18:13:50 +02:00 |
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h2o_dip37.inp
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TDDFT Forces (beta version) (#1670)
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2021-10-11 18:13:50 +02:00 |
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h2o_dip38.inp
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Dipole moments (non periodic) for Harris functionals (#1720)
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2021-11-02 11:45:26 +01:00 |
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TEST_FILES
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TDDFPT| fix HFX energy and forces
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2022-04-15 19:13:19 +02:00 |
