Search found 4 matches

by mjwaters
Thu Jul 26, 2018 10:09 pm
Forum: eOn
Topic: KDB bugs
Replies: 1
Views: 734

KDB bugs

Hi all, I found 2 bugs in KDB and found a fix. In kdb.py , on line 78: #if ibox == None: #old check, raises ValueError on ndarrays if type(ibox) != numpy.ndarray and type(ibox) != list and type(ibox) != tuple: # my fix ibox = numpy.linalg.inv(box) vdir = numpy.dot(r, ibox) In local_db.py , on line 1...
by mjwaters
Thu Jul 26, 2018 7:52 pm
Forum: eOn
Topic: Missing false_boinc.h
Replies: 5
Views: 1491

Re: Missing false_boinc.h

Hi Graeme, The following examples fail for me on revision 2366: examples/neb-al Reason-> option "nudged_elastic_band" should be one of: finite_difference, parallel_replica, unbiased_parallel_replica, escape_rate, saddle_search, minimization, process_search, basin_hopping, akmc, hessian, molecular_dy...
by mjwaters
Fri Jul 20, 2018 5:58 pm
Forum: eOn
Topic: Missing false_boinc.h
Replies: 5
Views: 1491

Re: Missing false_boinc.h

It compiles fine now!

Are there automated tests that I can run to confirm that everything is working?

Thanks,
-Mike
by mjwaters
Thu Jul 19, 2018 10:09 pm
Forum: eOn
Topic: Missing false_boinc.h
Replies: 5
Views: 1491

Missing false_boinc.h

Hi all, I'm trying out eOn for the first time. I'm using the latest revision number (2365). When I try to compile the client, I get the following error: make[1]: Entering directory '/home/mjwaters/software/eon/client/potentials/IMD' g++ -Wall -Wno-unused-local-typedefs -Wno-unused-function -Wfatal-e...