Jochen Küpper jochen at
Fri Aug 23 05:38:29 BST 2002

I post an updated version of molpro.el, a major mode to edit MOLPRO
files and start calculations.

The main improvement is the ability to start MOLPRO jobs under LSF.

| 2002-08-23  Jochen Küpper  <jochen at>
| 	* release: 2.0
| 	* molpro.el (molpro-run-lsf): Allow specification of empty queue and
| 	host.  That is, if the variables are empty strings (""), the options
| 	are not given to bsub at all.
| 2002-08-22  Jochen Küpper  <jochen at>
| 	* molpro.el (molpro-run-lsf): Added this function to start job under
| 	LSF control.
| 	(molpro-comment), (molpro-lsf-host), (molpro-lsf-queue),
| 	(molpro-lsf-option):  Add these cusomization options.
| 	Add run-lsf and run-nqs to XEmacs menu.
| 2002-05-01  Jochen Küpper  <jochen at>
| 	* molpro.el: Put in X11 license so P. Knowles can take a look at it.
| 	(molpro-show-output-buffer): Change viper-current-state only if it is
| 	is 'vi'.
| 	(molpro-font-lock-keywords): More keywords.  Logical operators.
| 	Labels.
| 	(molpro-update-output-buffer): New function.
| 	(molpro-show-output-buffer): Bind molpro-update-output-buffer to 'u' in
| 	view-mode. New otional parameter to define the input-file for which to
| 	show output.  Remove molpro-output-buffer.  Rename molpro-input-buffer
| 	-> ib, ob -> buffer, and of -> file.  Make ib and ob local variables.

University of North Carolina                       phone: +1-919-962-4403
Department of Chemistry                            phone: +1-919-962-1579
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