General Questions 139 topics

This is the place where you can put general questions/inquiries about MRCC related things.

Subject	Replies / Views	Last Post
EOM Calculation Category: General Questions Topic started 8 years 4 months ago, by jturney Last Post 8 years 3 months ago by kallay 1 2 3	Replies:13 Views:15.9k	Last Post by kallay 8 years 3 months ago
Printing amplitudes when mrcc is interfaced Category: General Questions Topic started 8 years 7 months ago, by SBehnle Last Post 8 years 7 months ago by SBehnle	Replies:2 Views:4366	Last Post by SBehnle 8 years 7 months ago
Saving natural orbitals into MOLDEN Category: General Questions Topic started 8 years 7 months ago, by sobereva Last Post 8 years 7 months ago by sobereva	Replies:2 Views:5086	Last Post by sobereva 8 years 7 months ago
arbitrary order Moller-Plesset calculations Category: General Questions Topic started 8 years 7 months ago, by szsmiga Last Post 8 years 7 months ago by kallay	Replies:1 Views:3890	Last Post by kallay 8 years 7 months ago
Low lying excited states Category: General Questions Topic started 8 years 8 months ago, by mongepm Last Post 8 years 8 months ago by kallay	Replies:1 Views:4112	Last Post by kallay 8 years 8 months ago
Some general doubts Category: General Questions Topic started 8 years 8 months ago, by jluiscasalssainz Last Post 8 years 8 months ago by kallay 1 2	Replies:10 Views:11.8k	Last Post by kallay 8 years 8 months ago
Open shell LCC in the future? Category: General Questions Topic started 8 years 10 months ago, by bkwx97 Last Post 8 years 10 months ago by kallay	Replies:1 Views:4047	Last Post by kallay 8 years 10 months ago
printing basis sets Category: General Questions Topic started 9 years 2 days ago, by koput Last Post 9 years 2 days ago by koput	Replies:2 Views:4138	Last Post by koput 9 years 2 days ago
Interchanging keywords between interfaced programs Category: General Questions Topic started 9 years 4 months ago, by Nike Last Post 9 years 2 months ago by Nike 1 2	Replies:6 Views:11.4k	Last Post by Nike 9 years 2 months ago
Calculate Element 118 (Uuo/Og) with MRCC Category: General Questions Topic started 9 years 3 months ago, by pjerabek Last Post 9 years 3 months ago by pjerabek	Replies:3 Views:5061	Last Post by pjerabek 9 years 3 months ago
Non-relativistic calculation with DIRAC interface Category: General Questions Topic started 9 years 3 months ago, by pjerabek Last Post 9 years 3 months ago by pjerabek	Replies:2 Views:4291	Last Post by pjerabek 9 years 3 months ago
CC calculations on A1Pi state of AlH Category: General Questions Topic started 9 years 4 months ago, by Ben_Shires Last Post 9 years 4 months ago by kallay	Replies:3 Views:4691	Last Post by kallay 9 years 4 months ago
Symm for states of EOM-CCSD using RECP from DIRAC Category: General Questions Topic started 9 years 7 months ago, by wangf Last Post 9 years 7 months ago by wangf	Replies:0 Views:4353	Last Post by wangf 9 years 7 months ago
Symmetry In the DIRAC interface to MRCC Category: General Questions Topic started 9 years 9 months ago, by wangf Last Post 9 years 9 months ago by kallay 1 2	Replies:10 Views:11.4k	Last Post by kallay 9 years 9 months ago
D2h symmetry discrepancy between MRCC and DIRAC Category: General Questions Topic started 9 years 9 months ago, by lixpas Last Post 9 years 9 months ago by lixpas	Replies:2 Views:4326	Last Post by lixpas 9 years 9 months ago
Symmetry of a transition density matrix Category: General Questions Topic started 10 years 4 months ago, by leos Last Post 9 years 10 months ago by leos	Replies:5 Views:5727	Last Post by leos 9 years 10 months ago
CCSDT(Q)/vtz calculation for the He atom Category: General Questions Topic started 10 years 1 week ago, by dolgonos Last Post 10 years 1 week ago by dolgonos	Replies:2 Views:4641	Last Post by dolgonos 10 years 1 week ago
Cfour interface Category: General Questions Topic started 10 years 3 weeks ago, by dolgonos Last Post 10 years 3 weeks ago by kallay	Replies:1 Views:4491	Last Post by kallay 10 years 3 weeks ago
dirac interface-fatal in 'dirac mointegral export' Category: General Questions Topic started 10 years 3 weeks ago, by wangf Last Post 10 years 3 weeks ago by kallay	Replies:3 Views:4620	Last Post by kallay 10 years 3 weeks ago
EOM-CC calculation from interface to DIRAC Category: General Questions Topic started 10 years 1 month ago, by wangf44 Last Post 10 years 4 weeks ago by wangf44	Replies:2 Views:4795	Last Post by wangf44 10 years 4 weeks ago

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General Questions 139 topics

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