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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-22 03:23:29 +01:00
Commit Graph

9 Commits

Author SHA1 Message Date
79748da843 from_xyz suppressed 2019-03-07 14:15:49 +01:00
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
f1fe33a8fb improved qp_e_conv_fci 2019-02-06 18:22:08 +01:00
eginer
981b563177 added dft_one_e/README.rst 2019-02-04 13:14:05 +01:00
7521d3da46 Folder -> directory 2019-01-29 23:10:00 +01:00
8e6603c85a Forgot files 2019-01-29 18:28:15 +01:00
f4bff28cd1 Warnings in documentation 2019-01-29 17:09:08 +01:00
f830999041 Included documentation 2019-01-25 14:54:38 +01:00
24d9745056 Initial commit 2019-01-25 11:39:31 +01:00