Subject: Re: CCL:Car-Parrinello MD program is now available.

From: <[email-masked]>
Date: Mon, 11 Apr 94 16:27:08 +1000

Dear Dr. Mercier:

> like to know how long the manual is since we would have to have it
> translated, a potentially expensive process.  Could you tell us a 

... uuhm, this has very severe linguistic problem ...

Before talking about the manual, please note that developing the CAMP Atami
code had been done on volunteer bases, even if it is sold from JCPE.
Fee of the program is only a shipping cost.

"Japanese Manual of CAMP Atami" is 74 pages long.
 ^^^^^^^^
Contents:
    preface and copyright notice
 1. Outline of the program  .............  1
 2. Theoretical bases ...................  3 
 3. Formats of input files ..............  9
 4. Formats of output files ............. 11
 5. Some results of calculations ........ 13
      Si, GaAs, metallic Al, Cu (crystal)
      H2O, SiH4, CH4, H2,       (molecule)
      poly Acetylene.           (macro molecule)
 6. Structure of the Code ............... 38
      minute description of the codes.
 7. References .......................... 62
 Appendix
    1. History of CAMP Atami ............ 65
    2. Mailing list on "CAMP" ........... 71

Yes, English translation of the manual is one of the our main concerns
of these days. We surely plan to do it. However it will take, I suppose,
half a year or so to translate the whole manual. It becomes too large
to handle at a time.

These may help You:
 A. A file containing compiling instructions are attached to the file set
    in English.
 B. A sample input file is also attached.
 C. Descriptions of the output files may not be provided in English.
    I will be able to tell you about them in that cases.
 D. Mailing list which devoted only on CAMP Atami will start soon.
    This mailing list will be set on some BBS in Japan, but you can sent
    and read mails via Inter-net Mail system without registration to the BBS.
    You may contact to the developers through the list.
    Address of the list is written on the manual.

Any comments and questions on manual as well as on CAMP are appreciated.
Please feel free to resent this message to others.

|  K. Nishida               |   Tenjin, Nagaokakyo, Kyoto 617 JAPAN  | 
|  research engineer        |   phone:     +81-75-951-9111           |
|  Research & Develop Div.  |   facsimile: +81-75-956-6259	     |
|  Murata Mfg., Co. Ltd.    |   JUNET:     [email-masked]	     |

>> A Car-Parrinello[1] MD program "CAMP Atami" is available from JCPE[2].
>> Please contact to JCPE to purchase the program.
>> Programing Language is FORTRAN77.
>> It is working on various UNIX machines, SUN, IRIS, NEWS, IBM, TITAN,
>> HP, ALLIANT, CRAY, SX etc.
>> 
>> 	Program No.:  P089
>> 	Program Name: CAMP Atami (ver.1.0)
>> 	Medium :      3.5" 2DD MS-DOS format.
>> 		      (tar + compress + uuencoded)
>> 	Fee :         2,500 yen. Including (Japanese) Manual.
>> 
>> Purchasing information from JCPE Newsletter:
>> |    JCPE:
>> |	JCPE Office, c/o Japan Association for International Chemical
>> |	Information(JAICI), Nakai Bldg., 6-25-4 Honkomagome, Bunkyo-ku,
>> |	Tokyo 113 JAPAN
>> |
>> |	Tel: +81-3-5978-3622
>> |	Fax: +81-3-5978-3600
>> |
>> |2. Purchase
>> |	Catalog is included in every issue of JCPE Newsletter. Specify
>> |	number and title of the program and include fee in international
>> |	money order or any other exchangeable note to the above address.
>> |	We send programs only in the same type of medium as received
>> |	from the author.  One does not have to be a member of JCPE
>> |	when placing the order of purchase.

     [1] R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2417 (1985).

     [2] JCPE ("Japanese Chemical Program Exchange") is a Japanese
         Organization like QCPE.