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239ba03231
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Fixed multi-state exc_max
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2020-12-22 01:36:04 +01:00 |
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a982b0d196
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Global Replacement of 'occupation pattern' with 'configuration'
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2020-12-22 00:55:14 +01:00 |
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23a96f54ac
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Multi-state Exc_max
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2020-12-22 00:27:09 +01:00 |
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61a9c8d29f
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Minor changes
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2020-12-16 11:05:55 +01:00 |
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f3078ed2e2
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Put back org file instead of tex
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2020-12-16 11:04:48 +01:00 |
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e614511261
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Sort CFG by seniority
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2020-12-16 01:50:02 +01:00 |
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b3e9c49514
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Added RELEASE_NOTES.org
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2020-12-15 23:52:17 +01:00 |
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46767a43a3
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Added AUTHORS file
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2020-12-15 23:51:55 +01:00 |
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075933e823
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Moved notes into Notes_CSF
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2020-12-15 23:47:27 +01:00 |
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c413f07691
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Minor changes
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2020-12-15 23:46:19 +01:00 |
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a8cc64721c
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cleaned gitignore
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2020-12-15 22:24:08 +01:00 |
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f3d7120abd
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Merge branch 'dev' into csf
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2020-12-15 22:19:49 +01:00 |
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623d131438
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Reset correct version of irpf90
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2020-12-15 22:18:37 +01:00 |
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1da715d8f2
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Faster compilation
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2020-12-15 18:40:37 +01:00 |
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c56ed07587
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PDF for Vijay
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2020-12-14 14:10:03 +01:00 |
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ddb4887cd2
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Merge branch 'csf' of github.com:QuantumPackage/qp2 into csf
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2020-12-14 14:09:31 +01:00 |
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vijay
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8b6865093d
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Added the part on sigma-vector (#143)
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2020-12-14 09:24:08 +01:00 |
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957ae92776
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Comments
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2020-12-12 01:33:40 +01:00 |
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434a8f11ec
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Merge branch 'dev' into csf
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2020-12-11 00:14:00 +01:00 |
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52d4980f56
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Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev
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2020-12-11 00:13:38 +01:00 |
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b09586d261
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Updated submodules
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2020-12-11 00:13:28 +01:00 |
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936c3cdf22
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Added excitation_max
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2020-12-10 18:22:16 +01:00 |
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a854d5a4c5
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Moved seniority in CIPSI
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2020-12-10 17:54:50 +01:00 |
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e25c8abb0f
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Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev
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2020-12-10 10:43:41 +01:00 |
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ec874e2615
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Added seniority keyword in cipsi
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2020-12-10 10:43:17 +01:00 |
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71126eed8a
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Merge branch 'dev' into csf
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2020-12-08 23:19:08 +01:00 |
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92ac2d2eea
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Reset Huckel guess
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2020-12-08 23:18:47 +01:00 |
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2bcd83fb07
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Merge branch 'dev' into csf
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2020-12-08 22:34:01 +01:00 |
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e767d52725
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Avoid possible divisions by zero
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2020-12-08 22:33:52 +01:00 |
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b89f53f40b
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Remove possible division by zero
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2020-12-08 22:05:23 +01:00 |
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b4b626042b
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Merge branch 'dev' into csf
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2020-12-08 20:37:35 +01:00 |
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008d1b9e8f
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Improved huckel guess
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2020-12-08 20:37:20 +01:00 |
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3713ca46ad
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Global Replacement of 'occupation pattern' with 'configuration'
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2020-12-08 18:44:53 +01:00 |
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vijay
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05cdfa4f44
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Removed LaTeX blocks since they do not help #143
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2020-12-08 10:10:04 +01:00 |
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vijay
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dbba20d499
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Added pdf since org-mode does not render latex #143
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2020-12-08 10:08:51 +01:00 |
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vijay
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c55d3d9ab9
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Added begin and end LaTeX blocks #143
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2020-12-08 10:01:20 +01:00 |
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vijay
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621444fd8c
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Working on a CFG based Configuration Interaction algorithm WIP#143
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2020-12-08 09:54:14 +01:00 |
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21d42dc7d7
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Update documentation
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2020-12-06 22:58:30 +01:00 |
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f120fb8177
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Irpf90 and EZIO as submodules
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2020-12-06 21:27:28 +01:00 |
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4775d92012
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Removed eatmydata
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2020-12-06 20:25:22 +01:00 |
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bae22bd940
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Update irpf90
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2020-12-06 17:03:10 +01:00 |
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b14f9af26e
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Added the GMP tar.gz to reduce pressure on GMP server.
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2020-12-06 16:12:59 +01:00 |
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bd162a119c
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Better documentation
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2020-12-06 15:58:48 +01:00 |
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c35212d111
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EZFIO
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2020-12-06 15:19:26 +01:00 |
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835c1eb3ae
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IRPF90 version
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2020-12-05 17:03:57 +01:00 |
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faa66ecb35
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IRPF90 version
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2020-12-05 17:03:04 +01:00 |
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dd384764f0
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Fixed configure -i all
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2020-12-05 16:30:26 +01:00 |
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46cc5048dc
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Merge branch 'csf' of github.com:QuantumPackage/qp2 into csf
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2020-12-05 16:29:41 +01:00 |
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951428837b
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Update IRPF90 version
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2020-12-05 16:29:36 +01:00 |
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5f5b31ccf6
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Add TODO
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2020-12-04 14:31:05 +01:00 |
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