Name | Last modified | Size | Description | |
---|---|---|---|---|
Parent Directory | - | |||
meci.ChVec1 | 2016-04-20 13:58 | 41M | ||
meci.input.org | 2016-04-20 13:56 | 32M | ||
meci.grid | 2016-04-20 14:02 | 24M | ||
meci.RunFile | 2016-04-20 14:02 | 23M | ||
meci.OneInt | 2016-04-20 14:02 | 19M | ||
meci.TWOHAM | 2016-04-20 14:02 | 17M | ||
meci.DNSMAT | 2016-04-20 14:02 | 17M | ||
meci.scf.molden | 2016-04-20 14:02 | 5.9M | ||
meci.guessorb.molden | 2016-04-20 13:58 | 5.9M | ||
meci.GssOrb | 2016-04-20 13:58 | 4.4M | ||
meci.ScfOrb | 2016-04-20 14:02 | 4.4M | ||
meci.ChRed | 2016-04-20 13:58 | 914K | ||
meci.ChDiag | 2016-04-20 13:58 | 412K | ||
meci.SOYVEC | 2016-04-20 14:02 | 322K | ||
meci.SODELTA | 2016-04-20 14:02 | 322K | ||
meci.GRADIENT | 2016-04-20 14:02 | 322K | ||
meci.SOXVEC | 2016-04-20 14:02 | 322K | ||
meci.SODGRAD | 2016-04-20 14:02 | 322K | ||
meci.log | 2016-04-20 14:02 | 132K | ||
meci.ChSel1 | 2016-04-20 13:58 | 122K | ||
meci.ChRst | 2016-04-20 13:58 | 79K | ||
meci.ChMap | 2016-04-20 13:58 | 45K | ||
meci.SymInfo | 2016-04-20 13:58 | 22K | ||
meci.xml | 2016-04-20 14:02 | 16K | ||
findsym.out | 2016-04-20 13:58 | 10K | ||
findsym.std | 2016-04-20 13:58 | 6.5K | ||
findsym.inp | 2016-04-20 13:58 | 4.6K | ||
geom_potmeci.xyz | 2016-04-20 13:55 | 2.3K | ||
molcas_info | 2016-04-20 14:02 | 1.9K | ||
run_prenos.log | 2016-04-20 14:03 | 1.1K | ||
run_prenos.out | 2016-04-20 14:03 | 1.0K | ||
meci.err | 2016-04-20 14:02 | 766 | ||
molcas.env | 2016-04-20 13:58 | 608 | ||
molcas.run | 2016-04-20 13:56 | 507 | ||
molcas.control | 2016-04-20 13:59 | 199 | ||
meci.input | 2016-04-20 13:57 | 97 | ||
meci.Gateway.Input | 2016-04-20 13:58 | 68 | ||
meci.NqGrid | 2016-04-20 13:58 | 40 | ||
meci.Seward.Input | 2016-04-20 13:58 | 35 | ||
stdin | 2016-04-20 13:58 | 28 | ||
meci.Scf.Input | 2016-04-20 13:58 | 28 | ||
returncode | 2016-04-20 14:02 | 22 | ||
meci.status | 2016-04-20 14:02 | 15 | ||
run_prenos.err | 2016-04-20 13:57 | 0 | ||
CAM_B3LYP/ | 2017-02-09 15:39 | - | ||