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Commit Graph

9 Commits

Author SHA1 Message Date
Anthony Scemama
81bc60eb58
Merge develop-toto and manus (#12)
* Fixed energies of non-expected s2

* Moved diag_algorithm in Davdison

* Fixed travis

* Added print_ci_vector

* Documentation

* Cleaned qp_set_mo_class.ml

* Removed Core in taskserver

* Frozen core for heavy atoms

* Improved molden module

* In sync with manus

* Fixed some of the documentation errors
2019-03-06 14:12:55 +01:00
eginer
bdb1a76855 Merge branch 'master' of https://github.com/QuantumPackage/qp2 2019-02-11 15:52:59 +01:00
eginer
f1fe33a8fb improved qp_e_conv_fci 2019-02-06 18:22:08 +01:00
489f9bd969 Fixed hf_energy 2019-02-06 16:49:32 +01:00
102084fa59 Add support for symbolic link which target qpsh 2019-01-28 11:32:06 +01:00
32d0d5eb1c Fixing qp_export 2019-01-26 01:51:22 +01:00
2c4aa08edb Fixing qp_export 2019-01-26 01:48:32 +01:00
2172a8cc3f Fixed qp_export 2019-01-26 00:56:59 +01:00
24d9745056 Initial commit 2019-01-25 11:39:31 +01:00