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Home / Qassandra / source_code
Name Modified Size InfoDownloads / Week
Parent folder
edmd.h 2016-04-04 21.3 kB
0
edmd_md.h 2016-04-04 76.3 kB
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qassandra.c 2016-04-04 23.0 kB
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compile.sh 2015-07-14 72 Bytes
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Totals: 4 Items   120.6 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!!!!

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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.
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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!
Source: README, updated 2016-04-04