Yammp Shell
Introduction
Simple Commands
Modify the Molecular Environment
Modify the Linesearch Methods for Energy Minimization
Modify the Energy Minimization Methods
Modify the Molecular Dynamics Methods
Modify the Monte Carlo Methods
Modify the Non-Bond Terms During a Simulation
Modify Bond Constraints for Molecular Dynamics
Modify the CONTRA-MD Method
Defining and Invoking Macros
Control Structures
repeat num
      statement
      ...
end

Repeat execution of statement, ... for num times.

if condition then
   Astatement
      ...
else
   Bstatement
      ...
end

Evaluate Astatement ... if condition is true otherwise evaluate Bstatement ... Rather limited since Ysh does not process expressions.

while condition
      statement
      ...
end

Execute statement ... while condition is true. Rather limited since Ysh does not yet process expressions.


Examples

 


des format
arc format
yammp shell
exam commands
intro
arc
arcedit
arctransform
checkspider
des
elec2vlat

exam
mimesis
mkchainarc
mkchaindes
mkd3c
mkd3d
mkr2cc
mksnac
mksnad
xmd3
xmr2
ympf

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