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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-07-07 11:45:48 +02:00
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
Anthony Scemama
ca4f8ebdca
Fixed energies of non-expected s2 (#9)
* Moved diag_algorithm in Davdison
2019-02-22 17:59:19 +01:00
Anthony Scemama
2783eabec3
Merge branch 'develop' into develop-manus 2019-02-21 09:33:21 +01:00
e11b04e519 Added gmp installation in configure 2019-02-06 18:14:20 +01:00
eginer
4759309d11 Merge branch 'develop' of https://github.com/QuantumPackage/qp2 into develop 2019-02-06 15:27:59 +01:00
35143c336e Error messages 2019-02-04 13:14:57 +01:00
eginer
1ae6af7ce3 changed the configure 2019-01-30 18:28:52 +01:00
eginer
a20dfdee69 changed the configure to add new functionals 2019-01-30 11:43:36 +01:00
24d9745056 Initial commit 2019-01-25 11:39:31 +01:00