General Questions 122 topics

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

Subject	Replies / Views	Last Post
Error reading DOMAIN in ovirt Topic started 5 years 7 months ago, by embcp-19 Last Post 5 years 7 months ago by embcp-19 1 2	Replies:6 Views:5684	Last Post by embcp-19 5 years 7 months ago
Columbus Interface Topic started 5 years 7 months ago, by rayxalapa Last Post 5 years 7 months ago by rayxalapa	Replies:0 Views:4271	Last Post by rayxalapa 5 years 7 months ago
analytic gradients for LMP2 Topic started 5 years 8 months ago, by sharley Last Post 5 years 8 months ago by kallay	Replies:1 Views:2423	Last Post by kallay 5 years 8 months ago
EOM Calculation Topic started 5 years 9 months ago, by jturney Last Post 5 years 8 months ago by kallay 1 2 3	Replies:13 Views:9161	Last Post by kallay 5 years 8 months ago
Printing amplitudes when mrcc is interfaced Topic started 6 years 1 week ago, by SBehnle Last Post 6 years 1 week ago by SBehnle	Replies:2 Views:2731	Last Post by SBehnle 6 years 1 week ago
Saving natural orbitals into MOLDEN Topic started 6 years 1 week ago, by sobereva Last Post 6 years 1 week ago by sobereva	Replies:2 Views:2614	Last Post by sobereva 6 years 1 week ago
arbitrary order Moller-Plesset calculations Topic started 6 years 2 weeks ago, by szsmiga Last Post 6 years 2 weeks ago by kallay	Replies:1 Views:2416	Last Post by kallay 6 years 2 weeks ago
Low lying excited states Topic started 6 years 1 month ago, by mongepm Last Post 6 years 1 month ago by kallay	Replies:1 Views:2608	Last Post by kallay 6 years 1 month ago
Some general doubts Topic started 6 years 1 month ago, by jluiscasalssainz Last Post 6 years 1 month ago by kallay 1 2	Replies:10 Views:7112	Last Post by kallay 6 years 1 month ago
Open shell LCC in the future? Topic started 6 years 3 months ago, by bkwx97 Last Post 6 years 3 months ago by kallay	Replies:1 Views:2471	Last Post by kallay 6 years 3 months ago
printing basis sets Topic started 6 years 4 months ago, by koput Last Post 6 years 4 months ago by koput	Replies:2 Views:2601	Last Post by koput 6 years 4 months ago
Interchanging keywords between interfaced programs Topic started 6 years 8 months ago, by Nike Last Post 6 years 7 months ago by Nike 1 2	Replies:6 Views:6836	Last Post by Nike 6 years 7 months ago
Calculate Element 118 (Uuo/Og) with MRCC Topic started 6 years 8 months ago, by pjerabek Last Post 6 years 8 months ago by pjerabek	Replies:3 Views:3368	Last Post by pjerabek 6 years 8 months ago
Non-relativistic calculation with DIRAC interface Topic started 6 years 8 months ago, by pjerabek Last Post 6 years 8 months ago by pjerabek	Replies:2 Views:2749	Last Post by pjerabek 6 years 8 months ago
CC calculations on A1Pi state of AlH Topic started 6 years 9 months ago, by Ben_Shires Last Post 6 years 9 months ago by kallay	Replies:3 Views:3086	Last Post by kallay 6 years 9 months ago
Symm for states of EOM-CCSD using RECP from DIRAC Topic started 7 years 1 week ago, by wangf Last Post 7 years 1 week ago by wangf	Replies:0 Views:2641	Last Post by wangf 7 years 1 week ago
Symmetry In the DIRAC interface to MRCC Topic started 7 years 2 months ago, by wangf Last Post 7 years 2 months ago by kallay 1 2	Replies:10 Views:6962	Last Post by kallay 7 years 2 months ago
D2h symmetry discrepancy between MRCC and DIRAC Topic started 7 years 2 months ago, by lixpas Last Post 7 years 2 months ago by lixpas	Replies:2 Views:2709	Last Post by lixpas 7 years 2 months ago
Symmetry of a transition density matrix Topic started 7 years 8 months ago, by leos Last Post 7 years 2 months ago by leos	Replies:5 Views:4052	Last Post by leos 7 years 2 months ago
CCSDT(Q)/vtz calculation for the He atom Topic started 7 years 5 months ago, by dolgonos Last Post 7 years 5 months ago by dolgonos	Replies:2 Views:3092	Last Post by dolgonos 7 years 5 months ago

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General Questions 122 topics

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