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| Name | Modified | Size | Downloads / Week |
|---|---|---|---|
| Parent folder | |||
| source_code | 2016-04-04 | ||
| quasimanual | 2015-07-14 | ||
| exe | 2015-07-13 | ||
| Conformer_generator | 2015-07-10 | ||
| examples | 2015-04-29 | ||
| README | 2016-04-04 | 1.3 kB | |
| versions.log | 2016-04-04 | 1.3 kB | |
| Totals: 7 Items | 2.6 kB | 0 | |
Greetings, Human or Almighty Machine! You are currenty reading the Qassandra program README file :) Hillo!!! This program provides MD (molecular dynamics), PIMD (path-integral MD) and MC (Monte-Carlo) trajectories utilization for GED (gas electron diffraction) needs. During its work it performes these basic steps: 1. process the trajectory [2. symmetrize equal terms] <- this step is not obligatory [3. calculate quantum effects corrections using our own methodics] <- this step is not obligatory 4. ??? 5. PROFIT!!!! ******************************************************************************************* To compile this program on Linux You have to: a. have gcc compiler installed b. that's all pretty much what do You need... Just run the compile.sh in the console and the executed file "qassandra.x" will be created. ******************************************************************************************* ########################################################################################### To compile this program in Windows You have to: a. install DevC++ b. open edmd.c c. compile it d. ?????? e. PROFIT!!!! ########################################################################################### Thank You for using our Airlines!!!! Have fun!