Revision 18 - Directory Listing
Modified Fri Jun 27 18:01:21 2008 UTC (13 years, 10 months ago) by wdelano

Revision 17 - Directory Listing
Modified Mon Jun 23 21:33:34 2008 UTC (13 years, 11 months ago) by tjod

Change to popen3 to be able to capture stderr

Revision 16 - Directory Listing
Modified Mon Jun 23 21:29:26 2008 UTC (13 years, 11 months ago) by tjod

Add back the command line options -d -i -x for dipole moment, vibrational data and logp.  Have error.log directed to stdout.

Revision 15 - Directory Listing
Modified Thu Jun 19 00:26:16 2008 UTC (13 years, 11 months ago) by tjod

Create new main program, mengine.c to replace gmmx.c
simplifying command line parsing (none).
Make mengine read stdin (sdf) and write stdout (sdf) instead
of files.  Makefile reflects change from gmmx to mengine.

Revision 14 - Directory Listing
Modified Thu Jun 19 00:21:04 2008 UTC (13 years, 11 months ago) by tjod

Sample python code showing how mengine can be called using popen2

Revision 13 - Directory Listing
Modified Thu Jun 19 00:20:24 2008 UTC (13 years, 11 months ago) by tjod

Sample file for use with mengine and mengine.py

Revision 9 - Directory Listing
Modified Thu Jun 12 21:50:08 2008 UTC (13 years, 11 months ago) by tjod

Was an old test

Revision 8 - Directory Listing
Modified Thu Jun 12 21:47:53 2008 UTC (13 years, 11 months ago) by tjod

No need to store output file until a test suite is developed.

Revision 7 - Directory Listing
Modified Thu Jun 12 21:46:15 2008 UTC (13 years, 11 months ago) by tjod

No need to store executables

Revision 6 - Directory Listing
Modified Thu Jun 12 21:12:19 2008 UTC (13 years, 11 months ago) by tjod

Two mods to compile properly under mingw without
breaking linux compile.
Comments in source near /* TJO ... */
gmmx.c handle null-termination of file name string properly.
pcmod.h #include <stdio.h> to define FILE type.

Revision 5 - Directory Listing
Modified Mon Jun 9 21:44:31 2008 UTC (13 years, 11 months ago) by tjod

test

Revision 4 - Directory Listing
Modified Mon Jun 9 21:43:12 2008 UTC (13 years, 11 months ago) by wdelano

test add

Revision 3 - Directory Listing
Modified Mon Jun 9 21:38:26 2008 UTC (13 years, 11 months ago) by tjod

test

Revision 2 - Directory Listing
Modified Thu May 22 18:48:23 2008 UTC (14 years ago) by wdelano

First Commit

Revision 1 - Directory Listing
Added Thu May 22 18:41:46 2008 UTC (14 years ago) by wdelano

First Import