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a9fb9ddf31
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Installation of zlib
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2015-01-12 19:14:00 +01:00 |
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1f9a128793
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Added EMSL_local in qp_create..
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2015-01-12 16:59:07 +01:00 |
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f95fee22bf
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Checking map_integrals.irp.f
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2014-10-27 12:40:30 +01:00 |
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11663c96da
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Improved setup scripts
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2014-10-23 23:44:46 +02:00 |
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5bbdbb6ec5
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Improved setup scripts to auto-install curl and m4
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2014-10-23 22:40:21 +02:00 |
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6f745a6e25
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Corrected bugs in ocaml
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2014-10-23 14:42:14 +02:00 |
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655c0ad737
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setup_environment.sh
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2014-10-08 12:13:07 +02:00 |
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Manu
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5e7644e166
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Bug in setup_environment corrected
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2014-10-07 16:22:07 +02:00 |
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5d72e3d4ff
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Ocaml setup environment
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2014-10-07 15:25:21 +02:00 |
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287a2b1ef3
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Added ocaml/opam install in setup_environment.sh
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2014-10-07 14:45:44 +02:00 |
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590c5628e4
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setup_environment.sh bug solved
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2014-07-28 14:09:55 +02:00 |
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ff86d51c5f
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Hartree-Fock works well
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2014-06-25 14:58:58 +02:00 |
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fd5a6ce174
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Merge branch 'master' of github.com:LCPQ/quantum_package
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2014-06-08 23:58:00 +02:00 |
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33e8f41268
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Save wavefunction
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2014-06-07 22:07:50 +02:00 |
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5c7a4da88d
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Setup environment repaired
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2014-06-07 16:44:37 +02:00 |
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Manu
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0f8f18497e
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Merge branch 'master' of github.com:LCPQ/quantum_package
Conflicts:
src/CISD_SC2_selected/cisd_sc2_selection.irp.f
|
2014-06-05 02:46:36 +02:00 |
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Manu
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f985e07211
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Better selection
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2014-06-05 02:45:31 +02:00 |
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f6f111dfff
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Accelerated SC2
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2014-06-04 21:28:43 +02:00 |
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4125127c2a
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Removed /home/scemama/irpf90/bin/irpf90 from setup_env.sh
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2014-05-29 01:41:40 +02:00 |
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b02cfe8dc3
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CISD OK
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2014-05-13 13:57:58 +02:00 |
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1e5c09f75a
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Fetch input MD5 files from the web into cache directory
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2014-04-07 15:57:57 +02:00 |
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950876f794
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Removed wget requirement
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2014-04-07 15:45:19 +02:00 |
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166df2ba8d
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Auto-update README.rst
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2014-04-04 00:41:43 +02:00 |
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a89f032e15
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Added MOs and bitmasks
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2014-04-03 01:59:48 +02:00 |
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0c2db61521
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Added documentation and Makefile
|
2014-04-01 18:21:01 +02:00 |
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