apbs

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Replace the data in apbs/examples/*/README.md with one or more CSV tables to facilitate testing and generating data for new releases.

sobolevnrm

3.0.0 build instructions are confusing, do not work

9

**Describe the bug** Unable to build 3.0.0 from source, I think because the build instructions are confusing and/or incomplete **To Reproduce** 1. Attempt to follow instructions here: https://apbs.readthedocs.io/en/latest/getting/source.html 2. It...

mathog

Linking issues

11

**Describe the bug** 3.0.0 release can't be built because of linking issues. I'm getting the following errors: ``` [ 69%] Linking C shared library ../../lib/libapbs_pmgc.so /usr/bin/ld: CMakeFiles/apbs_pmgc.dir/gsd.c.o:(.bss+0x0): multiple definition of...

dvdesolve

Add LPBE/NPBE support to geometric flow or remove the ion and lpbe keywords.

1

Need to remove ion and lpbe keywords from geoflow

sobolevnrm

Remove redundant PB-(S)AM keywords

1

* PB-SAM surf = usemesh * PB-SAM grid2d = write * PB-SAM dx = write (or read) * PB-SAM exp could be replaced with generalized version of APBS read *...

sobolevnrm

sobolevnrm

unable to calculate surface potential at different pH values of whole capsid

8

Hello everyone, I'm new to the party and have some issues regarding calculating my surface potential and hope to find a solution for my problem. I try to calculate the...

waynebow94

Standard platform for testing build system for APBS

1

sobolevnrm

sobolevnrm

Documentation for APBS geometric flow functionality

1

We need some documentation for the geometric flow functionality in APBS.

sobolevnrm