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Topic	Replies	Views	Last post
211 [SOLVED] MPI error trying to run a QMMM job with Tinker by adutton	2	1,779	2017-03-30 03:51:42 by adutton
212 Nonlinear properties calculations by Addiw7	0	836	2017-02-21 20:40:04 by Addiw7
213 Embedded Cluster Calculation by filippo_m	0	1,146	2017-02-06 12:07:44 by filippo_m
214 Sample input and Visualization of molecular orbital in molden by debu_molcas	8	19,841	2016-11-30 17:15:45 by valera
215 How can I separate one and two electron energy? by nesquik91	2	1,428	2016-11-14 03:38:41 by nesquik91
216 Has anyone used MOLCAS on GPUs? by samarendra	2	2,762	2016-08-15 16:13:17 by BerndS
217 EPR properties of organic biradicals? by Kjell	3	1,744	2016-05-09 17:20:59 by niko
218 Nitrogen Dissociation Energy by Tapan	6	3,113	2016-05-01 18:04:03 by Tapan
219 RASSCF Syntax by Tapan	1	1,414	2016-04-29 09:57:24 by Ignacio
220 How could I get spin-densities from CASSCF? by nesquik91	2	15,353	2016-04-26 11:00:27 by nesquik91
221 is this input enough for right calculation? by nesquik91	1	1,689	2016-04-18 13:20:40 by nesquik91
222 visualization .grid file problem with GV by nesquik91	2	1,934	2016-04-14 12:59:51 by nesquik91
223 Restart a job by sethio	1	2,772	2016-01-21 10:51:36 by Steven
224 Comparison of calculations by Sreenithya	4	2,532	2015-12-24 05:31:58 by Sreenithya
225 active space orbitals are changed by philippt	2	2,677	2015-12-17 19:01:01 by Steven
226 Rasscf energy diverges by Sreenithya	8	6,566	2015-12-16 18:52:07 by Sreenithya

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