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4 votes

Improving my programming for computational chemistry/physics

Just to complement previous and more detailed answers by @Nike Dattani and @Anyon. I found a very useful reference to review Modern Fortran and paralellization the book by Milan Curcic: Milan Curcic, ...
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5 votes

Improving my programming for computational chemistry/physics

Dr. Victor Eijkhout at Texas Advanced Computing Center (TACC) has some excellent resources at his website The Art of HPC, including freely available textbooks on Introduction to High-Performance ...
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9 votes

Improving my programming for computational chemistry/physics

My Story As an undergrad doing my first computational research project, I was told that I would be programming in FORTRAN. I remember being very nervous about this because I had never touched FORTRAN ...
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