============================== ATMOL USER README ===============================
This file contains some remarks on the current atmol version available. The remarks briefly indicate the changes in functionality of the programs. For details about the usage of the programs we refer to the manual.

Note: The mips version indications correspond to the ATMOL installation on the faculty (the PowerChallenge @ chem.ruu.nl).

Date: 16 may 1995
For the SGI-version signal handling was implemented (see the SIGNAL pre-directive in the introduction manual).
---------------------------------     SERV     ---------------------------------
Date build: 16 june 1994
Date build: 11 januari 1995
The merge option is re-implemented.
Date build: 16 may 1995 (mips4)
---------------------------------    SERVEC    ---------------------------------
Date build: 16 june 1994
Date build: 16 may 1995 (mips4)
---------------------------------  SERVEC.BIG  ---------------------------------
Date build: 16 june 1994
Date build: 16 may 1995 (mips4)
---------------------------------   INTACAT    ---------------------------------
Date build: 16 june 1994
Date build: 16 may 1995 (mips2)
Date build: 30 may 1995 (mips4)
---------------------------------    INTEGV    ---------------------------------
Date build: 16 june 1994
Date build: 11 januari 1995
The integrals have been modified to increase the accuracy.
Date build: 16 may 1995 (mips2)
Date build: 30 may 1995 (mips4)
---------------------------------    INTEGW    ---------------------------------
Date build: 16 june 1994
Date build: 11 januari 1995
The integrals have been modified to increase the accuracy.
Date build: 16 may 1995 (mips4)
---------------------------------     SCF      ---------------------------------
Date build: 16 june 1994
Date build: 16 may 1995 (mips4)
---------------------------------    MCSCF     ---------------------------------
Date build: 24 june 1994
The MCSCF program has been modified to allow dynamic memory. The default size of the core memory is 3 large pages. The size of the core memory can be specified using the 'lpage' pre-directive.
Date build: 16 may 1995 (mips4)
---------------------------------     TRAN     ---------------------------------
Date build: 16 june 1994
Date build: 16 may 1995 (mips4)
The TRAN program has been modified to allow dynamic memory. The default size of the core memory is 12 large pages. The size of the core memory can be specified using the 'lpage' pre-directive.
---------------------------------  TRAN.DISP   ---------------------------------
Date build: 16 june 1994
Date build: 16 may 1995 (mips4)
---------------------------------    DIRECT    ---------------------------------
Date build: 23 june 1994
Date build: 11 januari 1995
The direct-CI programma has been modified to allow dynamic memory. The default size of the core memory is 3 large pages. The size of the core memory can be specified using the 'lpage' pre-directive. The 'lp+' pre-directive has been discarded. Finally, the program prints the number of large pages actually used in a calculation.
Date build: 14 februari 1995
A print option was added to the CASGEN directive (see also the direct-CI manual).
Date build: 16 may 1995 (mips2)
The program was modified to generate trial vectors by diagonalizing the vacuum-matrix (see TRIAL directive in the manual).
The Jacobi-Davidson preconditioner was implemented (see JACDAV directive in the manual).
Date build: 30 may 1995 (mips4)
Date build: 15 august 1995
The program was extended to allow internally contracted (MR)MP 2/3 calculations. For more details see the MP directive in the manual.
---------------------------------    FULLCI    ---------------------------------
Date build: 26 oktober 1994
Date build: 16 may 1995 (mips4)
---------------------------------     END      ---------------------------------