General Questions 134 topics

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

Subject	Replies / Views	Last Post
Frozen orbitals Category: General Questions Topic started 9 years 1 month ago, by Ziaei Last Post 4 years 4 months ago by xwang862	Replies:2 Views:4495	Last Post by xwang862 4 years 4 months ago
wrong ovos-ccsdt gradient Category: General Questions Topic started 4 years 4 months ago, by huangbi Last Post 4 years 4 months ago by kallay 1 2	Replies:6 Views:6015	Last Post by kallay 4 years 4 months ago
Strange "drpa" memory issue Category: General Questions Topic started 4 years 4 months ago, by benedek1231 Last Post 4 years 4 months ago by nagypeter	Replies:3 Views:2469	Last Post by nagypeter 4 years 4 months ago
Saving Molpro MO's and restarting with MRCC Category: General Questions Topic started 4 years 4 months ago, by bkwx97 Last Post 4 years 4 months ago by kallay	Replies:1 Views:2565	Last Post by kallay 4 years 4 months ago
"ccmaxit" keyword does not work in some cases Category: General Questions Topic started 4 years 5 months ago, by benedek1231 Last Post 4 years 5 months ago by Nike	Replies:2 Views:2268	Last Post by Nike 4 years 5 months ago
convert pyscf integrals to mrcc format Category: General Questions Topic started 4 years 6 months ago, by huangbi Last Post 4 years 6 months ago by nagypeter	Replies:1 Views:2481	Last Post by nagypeter 4 years 6 months ago
Two questions Category: General Questions Topic started 4 years 7 months ago, by dmsamosvat Last Post 4 years 7 months ago by nagypeter	Replies:1 Views:2273	Last Post by nagypeter 4 years 7 months ago
LNO-MP2 calculations from LNO-CCSD(T) Category: General Questions Topic started 4 years 7 months ago, by cnaim94 Last Post 4 years 7 months ago by nagypeter	Replies:1 Views:2607	Last Post by nagypeter 4 years 7 months ago
Analytic polarizability and dipole moments Category: General Questions Topic started 4 years 7 months ago, by cnaim94 Last Post 4 years 7 months ago by cnaim94	Replies:2 Views:2365	Last Post by cnaim94 4 years 7 months ago
calculation of DBOC Category: General Questions Topic started 4 years 9 months ago, by Lorenzo Last Post 4 years 9 months ago by Lorenzo 1 2	Replies:8 Views:7277	Last Post by Lorenzo 4 years 9 months ago
"Reference energy" with scftype=uks lower than scftype=uhf Category: General Questions Topic started 4 years 10 months ago, by benedek1231 Last Post 4 years 10 months ago by benedek1231	Replies:2 Views:2423	Last Post by benedek1231 4 years 10 months ago
CCSDt Active Space Truncation with MP2-FNOs Category: General Questions Topic started 4 years 10 months ago, by nlk36701 Last Post 4 years 10 months ago by kallay	Replies:3 Views:2425	Last Post by kallay 4 years 10 months ago
Hellmann-Feynman Forces Category: General Questions Topic started 4 years 10 months ago, by cdc Last Post 4 years 10 months ago by cdc	Replies:0 Views:2388	Last Post by cdc 4 years 10 months ago
Multireference input Category: General Questions Topic started 11 years 2 months ago, by Gess Last Post 5 years 1 month ago by kallay	Replies:5 Views:9326	Last Post by kallay 5 years 1 month ago
X2C and other relativistic Hamiltonians in MRCC Category: General Questions Topic started 5 years 3 months ago, by houqq Last Post 5 years 3 months ago by houqq	Replies:4 Views:3386	Last Post by houqq 5 years 3 months ago
State Specific (Mk) MRCC Availability Category: General Questions Topic started 5 years 4 months ago, by ghjones Last Post 5 years 4 months ago by ghjones	Replies:2 Views:2548	Last Post by ghjones 5 years 4 months ago
AO DM Category: General Questions Topic started 5 years 4 months ago, by Edums Last Post 5 years 4 months ago by Edums	Replies:2 Views:2697	Last Post by Edums 5 years 4 months ago
consider negative energy state Category: General Questions Topic started 5 years 6 months ago, by yanmeiyu Last Post 5 years 6 months ago by yanmeiyu	Replies:0 Views:2765	Last Post by yanmeiyu 5 years 6 months ago
ADC(2) density matrix and transition density matrix Category: General Questions Topic started 5 years 7 months ago, by Edums Last Post 5 years 6 months ago by Edums	Replies:2 Views:3131	Last Post by Edums 5 years 6 months ago
The difference between molpro and mrcc Category: General Questions Topic started 5 years 8 months ago, by jamcas Last Post 5 years 8 months ago by jamcas 1 2	Replies:6 Views:7926	Last Post by jamcas 5 years 8 months ago

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General Questions 134 topics

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