============================ * JH PROGRAM SUITE * ==============================
================== * Procedure PCM (PARTIAL CHARGE MODEL) * ====================
Version 1.01 for Android (ARM)
Compiled 2018-02-17 using X11-BASIC
(C) Alan Liska & Veronika Ruzickova, 2018
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A. BATCH USE
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Write the input in the following style
(after "!" only remarks that must not be in the real input are written)

-1;0	! first number: overall charge, second number not important (by conv.)
Li;1	! Element symbol, its number in the considered species
H;1	! etc...
S;1
O;4

(for LiHSO4-)

0;0
Na;1
S;1
C;1
N;1

(for NaSCN)

and save as JH-PCM.inp. Execution of the program occurs upon the double click 
(or any kind of start) on JH-PCM.b. Notice that together with JH-PCM.b 
also JH-PCM.inp and JH-PCM.dat must be present in the same location, i.e. 
/mnt/sdcard/JH/Program/PCM/. After execution, a new file JH-PCM.out is created 
in the same folder. If there is any file of this name already present, it will 
be overwritten. The calculation results are inside this file.

The distribution contains one test input and one test output file.

If the requested element is not present in the database file JH-PCM.dat, it is 
possible to add manually the corresponding data to JH-PCM.dat. The only 
limitation is that the number of elements must not exceed 200 and number of 
atom types in the calculated species must be maximum 100.
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B. INTERACTIVE MODE
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As most of programs which deal with structural input data, JH-PCM.b does not
support interactive mode as well. It is necessary to input data through the
file named JH-PCM.inp present in the same folder as other files. 
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C. TROUBLESHOOTING, FEEDBACK
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Once you input element that is/are not present in the datasheets, the error 
message is generated and the program terminated. Its necessary to repeat the 
input procedure with correct data again. 
In case of bugs, any report sent to the authors (alan.liska@jh-inst.cas.cz)
is welcomed. 
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D. DISCLAIMER, LICENSE
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This program is being developed as a freeware with ABSOLUTELY NO WARRANTY
concerning the correct functionality of the software and the reliability of the
predicted data. The authors CARRY NO RESPONSIBILITY for any kind of situation
connected to use of this software as well as ARE NOT OBLIGATED to provide any 
kind of support. 
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E. REVISION HISTORY
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1.00 Primary version.
1.01 Program was renamed and headings were added to the database file. 
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REFERENCES:
[1] Marc Henry, Jean Pierre Jolivet, Jacques Livage, in Chemistry, Spectroscopy
 and Applications of Sol-Gel Glasses, Springer, Berlin Heidelberg 1992, 153-206.
ACKNOWLEDGEMENTS
Markus Hoffmann: X11-BASIC, Version 1.25, 1997-2018, x11-basic.sourceforge.net
(Interpreter & Compiler)
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