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mirror of https://github.com/LCPQ/quantum_package synced 2024-06-30 00:44:28 +02:00
Commit Graph

23 Commits

Author SHA1 Message Date
72bff78dba Normalize in input of Davidson 2016-09-26 20:34:16 +02:00
27b7c34106 MRCC+PT2 2016-04-01 23:33:58 +02:00
20a857c446 Distributed PT2 2016-02-19 00:20:28 +01:00
Yann Garniron
389ad54e50 forgot some deallocates 2016-01-03 10:14:43 +01:00
Yann Garniron
aa6d4c23a5 cleaning 2016-01-03 10:07:03 +01:00
Yann Garniron
16135a7248 reduced RAM requirement 2016-01-01 11:47:17 +01:00
Yann Garniron
d48ff4c00e removed merdge - buffer size = 8192 2015-12-30 11:35:06 +01:00
Yann Garniron
e207c1d51a subroutine merdge 2015-12-18 16:19:09 +01:00
Yann Garniron
0ffefd2f75 microlist for is_connected_to 2015-12-18 14:29:45 +01:00
Yann Garniron
97bc25183f bug in idx_microlist 2015-12-18 13:40:03 +01:00
Yann Garniron
3fd6e3c83b optimized 2015-12-18 12:07:49 +01:00
Yann Garniron
9a515ed0b6 better microlist 2015-12-17 22:06:57 +01:00
Yann Garniron
424682a7a1 apparently working microlist 2015-12-16 16:41:22 +01:00
Yann Garniron
786e2989d1 init microlist 2015-12-16 15:05:57 +01:00
e1e2a1d3e4 Corrected bug for large PT2 2015-11-27 15:20:15 +01:00
8176291618 Maybe repaired perturb_buffer_by_mono 2015-11-24 18:32:52 +01:00
3d7687e3c3 Accelerated diagonal element calculations in PT2 2015-11-24 17:01:09 +01:00
6cf3dcca0b Extended template for pt2 2015-11-24 11:40:49 +01:00
Yann Garniron
806d7be98b added is_connected_to 2015-11-19 21:20:43 +01:00
Yann Garniron
8a67f8e7d9 added create_minilist_find_previous 2015-11-19 20:57:44 +01:00
Yann Garniron
132c74e60b minilist simple pour epstein 2x2 2015-11-19 15:06:56 +01:00
e23dba89ba Accelerated MRCC 2015-07-29 18:27:07 +02:00
Thomas Applencourt
6a91e63cf3 Move into plugins 2015-06-17 18:23:56 +02:00