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b19cde6bf4
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Projection time is now in input parameter
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2016-01-12 23:57:45 +01:00 |
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76d2e4a491
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Trapped max is 20, corrected bug in wDMC weights (+1)
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2016-01-12 22:05:22 +01:00 |
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837435f646
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Avoid node crossings
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2016-01-12 21:42:37 +01:00 |
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3a61f4df23
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Removed ao_value and psi_grad_x
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2016-01-11 22:52:47 +01:00 |
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a15f3ae2b1
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Works with gfortran. Fixed ezfio.ml compiling problem.
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2015-12-29 00:48:17 +01:00 |
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ca07066e06
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Merge branch 'master' of github.com:scemama/qmcchem
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2015-12-22 22:19:03 +01:00 |
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517ddf99d0
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Normalization of the contracted AOs
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2015-12-22 22:18:37 +01:00 |
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4981bbe9e2
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Fixed non-compiling bugs
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2015-12-20 01:29:59 +01:00 |
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778b0cc826
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Removed derviatives
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2015-12-20 01:27:24 +01:00 |
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d30ed3448f
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Derivlist empty
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2015-12-20 01:24:19 +01:00 |
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0bacfffb32
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build.ninja in ocaml
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2015-12-20 01:21:51 +01:00 |
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6eb9a00101
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Added scripts
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2015-12-20 01:09:14 +01:00 |
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99e4ad9e12
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Full fortran sources
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2015-12-20 00:54:56 +01:00 |
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9580050b80
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Added AO
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2015-12-19 03:32:49 +01:00 |
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ea185b405f
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Added some .irp.f files
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2015-12-19 03:29:52 +01:00 |
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